(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide

C10H21N3O3 — CID 14731092

IUPAC(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C10H21N3O3/c1-5(2)4-7(11)10(16)13-8(6(3)14)9(12)15/h5-8,14H,4,11H2,1-3H3,(H2,12,15)(H,13,16)/t6-,7+,8+/m1/s1
InChIKeyLKNDKWLYLJSNMT-CSMHCCOUSA-N
MW231.30 g/mol
LogP-1.29
Rot. Bonds6

About (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide (PubChem CID 14731092) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide
PubChem CID14731092
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N[C@H](C(N)=O)[C@@H](C)O
InChIInChI=1S/C10H21N3O3/c1-5(2)4-7(11)10(16)13-8(6(3)14)9(12)15/h5-8,14H,4,11H2,1-3H3,(H2,12,15)(H,13,16)/t6-,7+,8+/m1/s1
InChIKeyLKNDKWLYLJSNMT-CSMHCCOUSA-N
XLogP-1.29
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide (CID 14731092) is (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)N[C@H](C(N)=O)[C@@H](C)O.
What is the InChIKey of (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide?
The InChIKey is LKNDKWLYLJSNMT-CSMHCCOUSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-5(2)4-7(11)10(16)13-8(6(3)14)9(12)15/h5-8,14H,4,11H2,1-3H3,(H2,12,15)(H,13,16)/t6-,7+,8+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide?
(2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide has a molecular weight of 231.30 g/mol, XLogP of -1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-4-methylpentanamide is sourced from PubChem (CID 14731092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).