(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid

C9H17NO4 — CID 118199112

IUPAC(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@@H](OC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C9H17NO4/c1-5(2)4-7(8(11)12)14-9(13)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyMJMMUSXKLDEGBP-NKWVEPMBSA-N
MW203.24 g/mol
LogP0.38
Rot. Bonds5

About (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid

(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid (PubChem CID 118199112) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid
PubChem CID118199112
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid
SMILESCC(C)C[C@@H](OC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C9H17NO4/c1-5(2)4-7(8(11)12)14-9(13)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyMJMMUSXKLDEGBP-NKWVEPMBSA-N
XLogP0.38
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid;hydrochloride
CID 53360483
(2R)-2-(2,2-dichloroacetyl)oxy-4-methylpentanoic acid
CID 22803540
2-(2-bromopropanoyloxy)-4-methylpentanoic acid
CID 142615474
(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
2-(2-bromobutanoyloxy)-4-methylpentanoic acid
CID 142615476
(2S)-2-methoxy-4-methylpentanoic acid
CID 89093087
(2S)-4-methyl-2-[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxypentanoic acid
CID 11089264
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
propan-2-yl (2S)-2-aminopropanoate
CID 13089460
propan-2-yl 2-aminopropanoate
CID 11804791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid (CID 118199112) is (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid is CC(C)C[C@@H](OC(=O)[C@H](C)N)C(=O)O.
What is the InChIKey of (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid?
The InChIKey is MJMMUSXKLDEGBP-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H17NO4/c1-5(2)4-7(8(11)12)14-9(13)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid?
(2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-aminopropanoyl]oxy-4-methylpentanoic acid is sourced from PubChem (CID 118199112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).