(3S,4S)-4-amino-3-hydroxyheptanoic acid

C7H15NO3 — CID 14753776

IUPAC(3S,4S)-4-amino-3-hydroxyheptanoic acid
SMILESCCC[C@H](N)[C@@H](O)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-5(8)6(9)4-7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyQRUSHLGWAHIYEF-WDSKDSINSA-N
MW161.20 g/mol
LogP-0.05
Rot. Bonds5

About (3S,4S)-4-amino-3-hydroxyheptanoic acid

(3S,4S)-4-amino-3-hydroxyheptanoic acid (PubChem CID 14753776) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3S,4S)-4-amino-3-hydroxyheptanoic acid.

Molecular Properties

Compound Name(3S,4S)-4-amino-3-hydroxyheptanoic acid
PubChem CID14753776
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3S,4S)-4-amino-3-hydroxyheptanoic acid
SMILESCCC[C@H](N)[C@@H](O)CC(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-5(8)6(9)4-7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1
InChIKeyQRUSHLGWAHIYEF-WDSKDSINSA-N
XLogP-0.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-amino-3-hydroxy-6-methylheptanoic acid
CID 157049939
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
sodium (3S,4S)-4-amino-3-hydroxyheptanoic acid
CID 175692011
3-hydroxyhexanoic acid;methane
CID 175209406
2-[(1S)-1-aminobutyl]propanedioic acid
CID 118535919
bis((3R,4R,5R)-3-amino-4,5-dimethyloctanoic acid);hydrochloride
CID 143112530
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
(3S,4S)-3-hydroxy-4-methyloctanoic acid
CID 70788967
3,4-dihydroxypentadecanoic acid
CID 22348655
5-ethoxy-3-hydroxy-4-methyl-5-oxopentanoic acid
CID 87648093
3-amino-6-ethyl-4-methylnonanoic acid
CID 11390279
ethane;(3R,4S)-3-hydroxy-4-methyloctanoic acid
CID 142967684

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-amino-3-hydroxyheptanoic acid?
The IUPAC name of (3S,4S)-4-amino-3-hydroxyheptanoic acid (CID 14753776) is (3S,4S)-4-amino-3-hydroxyheptanoic acid.
What is the SMILES notation for (3S,4S)-4-amino-3-hydroxyheptanoic acid?
The canonical SMILES for (3S,4S)-4-amino-3-hydroxyheptanoic acid is CCC[C@H](N)[C@@H](O)CC(=O)O.
What is the InChIKey of (3S,4S)-4-amino-3-hydroxyheptanoic acid?
The InChIKey is QRUSHLGWAHIYEF-WDSKDSINSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-5(8)6(9)4-7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-amino-3-hydroxyheptanoic acid?
(3S,4S)-4-amino-3-hydroxyheptanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-amino-3-hydroxyheptanoic acid is sourced from PubChem (CID 14753776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).