(2S)-2-amino-3-hydroxyheptanoic acid

C7H15NO3 — CID 139775906

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

About (2S)-2-amino-3-hydroxyheptanoic acid

(2S)-2-amino-3-hydroxyheptanoic acid (PubChem CID 139775906) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S)-2-amino-3-hydroxyheptanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydroxyheptanoic acid
PubChem CID139775906
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S)-2-amino-3-hydroxyheptanoic acid
SMILESCCCCC(O)[C@H](N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-2-3-4-5(9)6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5?,6-/m0/s1
InChIKeyHWUNCKBWHUGJNU-GDVGLLTNSA-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

(2S)-2-amino-3-hydroxyoctanamide
CID 87747002
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
(2S,3R)-2-amino-3-hydroxy-5-oxooctadecanoic acid
CID 174767583
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
(2R,3S)-2,5-diamino-3-hydroxypentanoic acid
CID 14780344
2-amino-5-ethylsulfanyl-3-hydroxypentanoic acid
CID 116504445
ethyl (2S,3S)-2-amino-3-hydroxyoctanoate;hydrochloride
CID 166438814
ethyl (2R,3R)-2-amino-3-hydroxyhexadecanoate
CID 11638254
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
4-hydroxy-2,3-dimethyloctanoic acid
CID 79414235
2-ethyl-3-hydroxyoctanoic acid
CID 22508303
3-hydroxy-2-octyldodecanoic acid
CID 86181750

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydroxyheptanoic acid?
The IUPAC name of (2S)-2-amino-3-hydroxyheptanoic acid (CID 139775906) is (2S)-2-amino-3-hydroxyheptanoic acid.
What is the SMILES notation for (2S)-2-amino-3-hydroxyheptanoic acid?
The canonical SMILES for (2S)-2-amino-3-hydroxyheptanoic acid is CCCCC(O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydroxyheptanoic acid?
The InChIKey is HWUNCKBWHUGJNU-GDVGLLTNSA-N. The full InChI is InChI=1S/C7H15NO3/c1-2-3-4-5(9)6(8)7(10)11/h5-6,9H,2-4,8H2,1H3,(H,10,11)/t5?,6-/m0/s1.
What are the key properties of (2S)-2-amino-3-hydroxyheptanoic acid?
(2S)-2-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 (2S)-2-amino-3-hydroxyheptanoic acid is sourced from PubChem (CID 139775906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).