(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide

C10H21N3O2 — CID 103812202

IUPAC(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-6(2)4-8(11)10(15)13-7(3)5-9(12)14/h6-8H,4-5,11H2,1-3H3,(H2,12,14)(H,13,15)/t7?,8-/m0/s1
InChIKeyOCYREWSZFTZBTC-MQWKRIRWSA-N
MW215.30 g/mol
LogP-0.26
Rot. Bonds6

About (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide

(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide (PubChem CID 103812202) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
PubChem CID103812202
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NC(C)CC(N)=O
InChIInChI=1S/C10H21N3O2/c1-6(2)4-8(11)10(15)13-7(3)5-9(12)14/h6-8H,4-5,11H2,1-3H3,(H2,12,14)(H,13,15)/t7?,8-/m0/s1
InChIKeyOCYREWSZFTZBTC-MQWKRIRWSA-N
XLogP-0.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methyl-N-(1-methylsulfanylpropan-2-yl)pentanamide
CID 115740467
(2S)-2-amino-N-(5,5-dimethylhexan-2-yl)-4-methylpentanamide
CID 119796588
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
4-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
CID 18222257
2-[[4-amino-2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 22703286
(2S)-2-amino-N-heptan-2-yl-4-methylpentanamide
CID 61154397
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 145454172
2-amino-N-(1-cyclopropylpropan-2-yl)butanediamide;hydrochloride
CID 119957385
2-[[(2S)-4-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]acetic acid
CID 145456357
2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 22703579
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-amino-4-methyl-N-octan-2-ylpentanamide
CID 61179526

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide (CID 103812202) is (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NC(C)CC(N)=O.
What is the InChIKey of (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide?
The InChIKey is OCYREWSZFTZBTC-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-6(2)4-8(11)10(15)13-7(3)5-9(12)14/h6-8H,4-5,11H2,1-3H3,(H2,12,14)(H,13,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide?
(2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide has a molecular weight of 215.30 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-amino-4-oxobutan-2-yl)-4-methylpentanamide is sourced from PubChem (CID 103812202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).