2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide

C11H21N3O3 — CID 143591672

IUPAC2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)NC(=O)CN
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(6-15)14-11(17)8(3)13-10(16)5-12/h6-9H,4-5,12H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySRKAWSGFMRTSGB-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.82
Rot. Bonds7

About 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide

2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide (PubChem CID 143591672) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
PubChem CID143591672
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide
SMILESCC(C)CC(C=O)NC(=O)C(C)NC(=O)CN
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(6-15)14-11(17)8(3)13-10(16)5-12/h6-9H,4-5,12H2,1-3H3,(H,13,16)(H,14,17)
InChIKeySRKAWSGFMRTSGB-UHFFFAOYSA-N
XLogP-0.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
(2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 156587966
2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2R)-2-[[(2R)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoic acid
CID 44968172
2-[[2-(2-aminopropanoylamino)-3-hydroxybutanoyl]amino]-3-methyl-N-[1-[(4-methyl-1-oxopentan-2-yl)amino]-1-oxopropan-2-yl]butanamide
CID 118618423
(2S,3R)-2-amino-3-hydroxy-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 173121896
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338
2-[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 23182429
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
2-[[5-amino-2-[2-[(2-aminoacetyl)amino]propanoylamino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 23054998
2-[2-[(2-aminoacetyl)amino]propanoylamino]-3-sulfanylpropanoic acid
CID 18220896

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide (CID 143591672) is 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide is CC(C)CC(C=O)NC(=O)C(C)NC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide?
The InChIKey is SRKAWSGFMRTSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)4-9(6-15)14-11(17)8(3)13-10(16)5-12/h6-9H,4-5,12H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide?
2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide has a molecular weight of 243.31 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-(4-methyl-1-oxopentan-2-yl)propanamide is sourced from PubChem (CID 143591672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).