(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide

C15H31N3O2 — CID 97252212

IUPAC(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide
SMILESCC[C@@H](C)[C@@H](NCC(=O)N(CC(C)C)C(C)C)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-7-12(6)14(15(16)20)17-8-13(19)18(11(4)5)9-10(2)3/h10-12,14,17H,7-9H2,1-6H3,(H2,16,20)/t12-,14-/m1/s1
InChIKeyVEEIXXWAZJAUDA-TZMCWYRMSA-N
MW285.43 g/mol
LogP1.37
Rot. Bonds9

About (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide

(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide (PubChem CID 97252212) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide
PubChem CID97252212
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide
SMILESCC[C@@H](C)[C@@H](NCC(=O)N(CC(C)C)C(C)C)C(N)=O
InChIInChI=1S/C15H31N3O2/c1-7-12(6)14(15(16)20)17-8-13(19)18(11(4)5)9-10(2)3/h10-12,14,17H,7-9H2,1-6H3,(H2,16,20)/t12-,14-/m1/s1
InChIKeyVEEIXXWAZJAUDA-TZMCWYRMSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(2-methylpropyl)-N-propan-2-ylacetamide;hydrochloride
CID 119730933
(2S,3S)-3-methyl-2-[[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 122100127
3-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 60946125
2-(2-methoxyethylamino)-3-methylpentanamide
CID 62541337
2-chloro-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 60809013
(2S)-2-amino-N-(2-methylpropyl)-N-propan-2-ylbutanamide
CID 79024707
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402
2-(2-aminoethoxy)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 79473856
ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
CID 79491699
N-(2-methylpropyl)-N-propan-2-yl-3-sulfanylpropanamide
CID 107026462

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide?
The IUPAC name of (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide (CID 97252212) is (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide.
What is the SMILES notation for (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide?
The canonical SMILES for (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide is CC[C@@H](C)[C@@H](NCC(=O)N(CC(C)C)C(C)C)C(N)=O.
What is the InChIKey of (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide?
The InChIKey is VEEIXXWAZJAUDA-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-7-12(6)14(15(16)20)17-8-13(19)18(11(4)5)9-10(2)3/h10-12,14,17H,7-9H2,1-6H3,(H2,16,20)/t12-,14-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide?
(2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide has a molecular weight of 285.43 g/mol, XLogP of 1.37, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-2-[[2-[2-methylpropyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanamide is sourced from PubChem (CID 97252212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).