(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid

C7H13NO4 — CID 101256897

IUPAC(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](NC=O)[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-4(2)5(8-3-9)6(10)7(11)12/h3-6,10H,1-2H3,(H,8,9)(H,11,12)/t5-,6-/m0/s1
InChIKeyMKTCXAQYECATBH-WDSKDSINSA-N
MW175.18 g/mol
LogP-0.80
Rot. Bonds5

About (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid

(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid (PubChem CID 101256897) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid
PubChem CID101256897
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid
SMILESCC(C)[C@H](NC=O)[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-4(2)5(8-3-9)6(10)7(11)12/h3-6,10H,1-2H3,(H,8,9)(H,11,12)/t5-,6-/m0/s1
InChIKeyMKTCXAQYECATBH-WDSKDSINSA-N
XLogP-0.80
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-3-formamido-2-hydroxy-5-methylhexanoic acid
CID 101256899
(3R)-2-formamido-3-hydroxybutanoic acid
CID 154963962
(2S)-2-formamidopropanoic acid;hydrochloride
CID 174752682
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]formamide
CID 13227488
CID 170844591
CID 170844591
(2S,3R)-2,3-dihydroxy-4-methylpentanoic acid
CID 11137318
2-hydroxy-4-methyl-3-propan-2-ylpentanoic acid
CID 141142510
2-hydroxy-3-nitrobutanoic acid
CID 55299089
2,3-dihydroxybutanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 173051476
N-(1-amino-2-methylpropyl)formamide
CID 74218484
bis(2,3-dihydroxybutanedioic acid);propane;tetrakis(propan-2-ol);titanium(2+)
CID 173253918
2,3-dihydroxybutanedioic acid;N-propylpropan-1-amine
CID 139301473

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid?
The IUPAC name of (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid (CID 101256897) is (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid?
The canonical SMILES for (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid is CC(C)[C@H](NC=O)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid?
The InChIKey is MKTCXAQYECATBH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4(2)5(8-3-9)6(10)7(11)12/h3-6,10H,1-2H3,(H,8,9)(H,11,12)/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid?
(2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid has a molecular weight of 175.18 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-formamido-2-hydroxy-4-methylpentanoic acid is sourced from PubChem (CID 101256897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).