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

C10H19N3O3 — CID 91405753

IUPAC(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)NCC=O
InChIInChI=1S/C10H19N3O3/c1-7(2)5-8(13-9(15)6-11)10(16)12-3-4-14/h4,7-8H,3,5-6,11H2,1-2H3,(H,12,16)(H,13,15)/t8-/m0/s1
InChIKeyXQKBQGOSUKSBDO-QMMMGPOBSA-N
MW229.28 g/mol
LogP-1.21
Rot. Bonds7

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

(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide (PubChem CID 91405753) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
PubChem CID91405753
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide
SMILESCC(C)C[C@H](NC(=O)CN)C(=O)NCC=O
InChIInChI=1S/C10H19N3O3/c1-7(2)5-8(13-9(15)6-11)10(16)12-3-4-14/h4,7-8H,3,5-6,11H2,1-2H3,(H,12,16)(H,13,15)/t8-/m0/s1
InChIKeyXQKBQGOSUKSBDO-QMMMGPOBSA-N
XLogP-1.21
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.21
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

2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxopropyl)pentanamide
CID 123621457
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
2-[(2-aminoacetyl)amino]-N-(2-hydrazinyl-2-oxoethyl)-4-methylpentanamide
CID 178118398
4-[(2-aminoacetyl)amino]-5-oxo-5-(2-oxoethylamino)pentanoic acid
CID 155353905
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660
(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
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
2-[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 23182429
(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 145455650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide (CID 91405753) is (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide is CC(C)C[C@H](NC(=O)CN)C(=O)NCC=O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide?
The InChIKey is XQKBQGOSUKSBDO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(2)5-8(13-9(15)6-11)10(16)12-3-4-14/h4,7-8H,3,5-6,11H2,1-2H3,(H,12,16)(H,13,15)/t8-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide?
(2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide has a molecular weight of 229.28 g/mol, XLogP of -1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-4-methyl-N-(2-oxoethyl)pentanamide is sourced from PubChem (CID 91405753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).