(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid

C12H23NO4 — CID 107822514

IUPAC(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
SMILESCCCC(CCC)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-5-9(6-4-2)11(15)13-10(7-8-14)12(16)17/h9-10,14H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyDVVWGCMIHNTNQK-JTQLQIEISA-N
MW245.32 g/mol
LogP1.15
Rot. Bonds9

About (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid

(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid (PubChem CID 107822514) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
PubChem CID107822514
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid
SMILESCCCC(CCC)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C12H23NO4/c1-3-5-9(6-4-2)11(15)13-10(7-8-14)12(16)17/h9-10,14H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyDVVWGCMIHNTNQK-JTQLQIEISA-N
XLogP1.15
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
2-(2-propylpentanoylamino)butanedioic acid
CID 82985290
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
4-methylsulfanyl-2-(2-propylpentanoylamino)butanoic acid
CID 82984187
(2R)-2-[2-(aminomethyl)pentanoylamino]-3-hydroxypropanoic acid
CID 80750422
(2R)-2-[[(2R)-2-aminobutanoyl]amino]-4-hydroxybutanoic acid
CID 107825073
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
(2S)-3-phenyl-2-(2-propylpentanoylamino)propanoic acid
CID 82984626
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-4-methylsulfanyl-2-[2-(sulfanylmethyl)pentanoylamino]butanoic acid
CID 10085029

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid (CID 107822514) is (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid is CCCC(CCC)C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid?
The InChIKey is DVVWGCMIHNTNQK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO4/c1-3-5-9(6-4-2)11(15)13-10(7-8-14)12(16)17/h9-10,14H,3-8H2,1-2H3,(H,13,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid?
(2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(2-propylpentanoylamino)butanoic acid is sourced from PubChem (CID 107822514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).