(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen

C15H35N3O3 — CID 170704997

IUPAC(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen
SMILESCC(C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(C)C.[H][H].[H][H].[H][H]
InChIInChI=1S/C15H29N3O3.3H2/c1-8(2)13(19)10(5)17-15(21)12(7)18-14(20)11(6)16-9(3)4;;;/h8-12,16H,1-7H3,(H,17,21)(H,18,20);3*1H/t10-,11-,12-;;;/m0.../s1
InChIKeyBJZPVEDOLPCZOO-YSZXOBSOSA-N
MW305.46 g/mol
LogP1.35
Rot. Bonds8

About (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen

(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen (PubChem CID 170704997) has the molecular formula C15H35N3O3 and a molecular weight of 305.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen
PubChem CID170704997
Molecular FormulaC15H35N3O3
Molecular Weight305.46 g/mol
Exact Mass305.27
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen
SMILESCC(C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(C)C.[H][H].[H][H].[H][H]
InChIInChI=1S/C15H29N3O3.3H2/c1-8(2)13(19)10(5)17-15(21)12(7)18-14(20)11(6)16-9(3)4;;;/h8-12,16H,1-7H3,(H,17,21)(H,18,20);3*1H/t10-,11-,12-;;;/m0.../s1
InChIKeyBJZPVEDOLPCZOO-YSZXOBSOSA-N
XLogP1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen with MolForge

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Related Compounds

(2S)-N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]-2-(propan-2-ylamino)propanamide
CID 164715904
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
methane;(2S)-2-(propan-2-ylamino)-N-[(3S)-2,5,5-trimethyl-4-oxohexan-3-yl]propanamide
CID 159918329
(2S)-2-(tert-butylamino)-3-methyl-N-[(2S)-4-methyl-3-oxopentan-2-yl]butanamide
CID 138482618
2-amino-4-methylpentan-3-one;2-methyl-4-(propan-2-ylamino)pentan-3-one;3-(propan-2-ylamino)butan-2-one
CID 159548736
methyl N-(4-methyl-3-oxopentan-2-yl)carbamate
CID 59372534
methyl N-[(2S)-4-methyl-3-oxopentan-2-yl]carbamate
CID 59264493
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
N-tert-butyl-2-(propan-2-ylamino)propanamide
CID 43086719
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
N-[(2S,5R)-5,7-dimethyl-3,6-dioxooctan-2-yl]-2-methylpropanamide
CID 159866906
N,2-dimethyl-N'-[2-(propan-2-ylamino)propanoyl]propanehydrazide
CID 20607867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen?
The IUPAC name of (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen (CID 170704997) is (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen?
The canonical SMILES for (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen is CC(C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)C(C)C.[H][H].[H][H].[H][H].
What is the InChIKey of (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen?
The InChIKey is BJZPVEDOLPCZOO-YSZXOBSOSA-N. The full InChI is InChI=1S/C15H29N3O3.3H2/c1-8(2)13(19)10(5)17-15(21)12(7)18-14(20)11(6)16-9(3)4;;;/h8-12,16H,1-7H3,(H,17,21)(H,18,20);3*1H/t10-,11-,12-;;;/m0.../s1.
What are the key properties of (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen?
(2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen has a molecular weight of 305.46 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(2S)-4-methyl-3-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(propan-2-ylamino)propanamide;molecular hydrogen is sourced from PubChem (CID 170704997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).