2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide

C11H21N3O3 — CID 123621457

IUPAC2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(CC(C)C)NC(=O)CN
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(14-10(16)5-12)11(17)13-6-8(3)15/h7,9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyOGRMXRYYLZREEM-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.82
Rot. Bonds7

About 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide

2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide (PubChem CID 123621457) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
PubChem CID123621457
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
SMILESCC(=O)CNC(=O)C(CC(C)C)NC(=O)CN
InChIInChI=1S/C11H21N3O3/c1-7(2)4-9(14-10(16)5-12)11(17)13-6-8(3)15/h7,9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16)
InChIKeyOGRMXRYYLZREEM-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

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Related Compounds

2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
(2R)-2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-sulfanylpropanoic acid
CID 175756908
2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18488834
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
CID 91405753
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoyl]amino]acetic acid
CID 175735933
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
4-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 18488822
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660
2-[[5-amino-2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 18488807
N-(2-amino-2-oxoethyl)-4-methyl-2-(propanoylamino)pentanamide;ethanamine;ethane
CID 170598149
2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]acetic acid
CID 14409834
(2S)-N-[2-[(4-acetamidocyclohexyl)amino]-2-oxoethyl]-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanamide
CID 130388241

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide (CID 123621457) is 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide is CC(=O)CNC(=O)C(CC(C)C)NC(=O)CN.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide?
The InChIKey is OGRMXRYYLZREEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)4-9(14-10(16)5-12)11(17)13-6-8(3)15/h7,9H,4-6,12H2,1-3H3,(H,13,17)(H,14,16).
What are the key properties of 2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide?
2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide 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]-4-methyl-N-(2-oxopropyl)pentanamide is sourced from PubChem (CID 123621457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).