(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

C11H23N3O2 — CID 61173876

IUPAC(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-5-8(4)10(12)11(16)13-6-9(15)14-7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1
InChIKeySLIXPRLNJUMRKQ-HTLJXXAVSA-N
MW229.32 g/mol
LogP0.00
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide

(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (PubChem CID 61173876) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
PubChem CID61173876
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C11H23N3O2/c1-5-8(4)10(12)11(16)13-6-9(15)14-7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1
InChIKeySLIXPRLNJUMRKQ-HTLJXXAVSA-N
XLogP0.00
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18294365
(2S)-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 145456149
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]-3-methylpentanamide
CID 43515212
(2S,3S)-2-amino-N-[2-(benzhydrylamino)-2-oxoethyl]-3-methylpentanamide
CID 157238222
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 18294270
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 18294294
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
(2S)-5-amino-2-[[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145456145
(2S,3S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 82961749
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylpentanamide;hydrochloride
CID 119695004
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18294601
(2S)-2-amino-N-(2-bromoprop-2-enyl)-3-methylpentanamide
CID 103832999

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide (CID 61173876) is (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is CCC(C)[C@H](N)C(=O)NCC(=O)NC(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
The InChIKey is SLIXPRLNJUMRKQ-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-5-8(4)10(12)11(16)13-6-9(15)14-7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,13,16)(H,14,15)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide?
(2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide has a molecular weight of 229.32 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide is sourced from PubChem (CID 61173876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).