(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide

C18H36N4O3 — CID 88912849

IUPAC(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide
SMILESCC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C18H36N4O3/c1-9-14(17(24)20-12(6)10(2)3)21-18(25)15(11(4)5)22-16(23)13(7)19-8/h10-15,19H,9H2,1-8H3,(H,20,24)(H,21,25)(H,22,23)/t12-,13+,14+,15+/m0/s1
InChIKeySUARSINPHPWZRW-GBJTYRQASA-N
MW356.51 g/mol
LogP0.79
Rot. Bonds10

About (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide

(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide (PubChem CID 88912849) has the molecular formula C18H36N4O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide.

Molecular Properties

Compound Name(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide
PubChem CID88912849
Molecular FormulaC18H36N4O3
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide
SMILESCC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](C)C(C)C
InChIInChI=1S/C18H36N4O3/c1-9-14(17(24)20-12(6)10(2)3)21-18(25)15(11(4)5)22-16(23)13(7)19-8/h10-15,19H,9H2,1-8H3,(H,20,24)(H,21,25)(H,22,23)/t12-,13+,14+,15+/m0/s1
InChIKeySUARSINPHPWZRW-GBJTYRQASA-N
XLogP0.79
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide with MolForge

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Launch Full Analysis

Related Compounds

6-(methanesulfonamido)-2-[[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]hexanoic acid
CID 87564470
(2S)-N-butan-2-yl-2-(methylamino)propanamide
CID 130563801
ethyl N-[(2R)-3-methyl-1-[[(2R)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029169
ethyl N-[(2S)-3-methyl-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 97029166
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
methyl N-[(2S)-3-methyl-1-(3-methylbutan-2-ylamino)-1-oxobutan-2-yl]carbamate
CID 130457173
(2R)-2-[2-(methylamino)propanoylamino]pentanoic acid
CID 107564986
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
2-[[2-(2-acetamidopropanoylamino)-3-methylbutanoyl]amino]-3-methylpentanamide
CID 23276427
(2S)-N-[(2S)-1-[[(4S)-2,5-dioxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-[[(2S)-2-(methylamino)-4-oxopentanoyl]amino]-5-oxohexanamide
CID 59844266
2-[[3-methyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11525099
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide?
The IUPAC name of (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide (CID 88912849) is (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide.
What is the SMILES notation for (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide?
The canonical SMILES for (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide is CC[C@@H](NC(=O)[C@H](NC(=O)[C@@H](C)NC)C(C)C)C(=O)N[C@@H](C)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide?
The InChIKey is SUARSINPHPWZRW-GBJTYRQASA-N. The full InChI is InChI=1S/C18H36N4O3/c1-9-14(17(24)20-12(6)10(2)3)21-18(25)15(11(4)5)22-16(23)13(7)19-8/h10-15,19H,9H2,1-8H3,(H,20,24)(H,21,25)(H,22,23)/t12-,13+,14+,15+/m0/s1.
What are the key properties of (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide?
(2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide has a molecular weight of 356.51 g/mol, XLogP of 0.79, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[[(2R)-2-(methylamino)propanoyl]amino]-N-[(2R)-1-[[(2S)-3-methylbutan-2-yl]amino]-1-oxobutan-2-yl]butanamide is sourced from PubChem (CID 88912849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).