[(4S)-1-hydroxyheptan-4-yl]carbamic acid

C8H17NO3 — CID 87839547

IUPAC[(4S)-1-hydroxyheptan-4-yl]carbamic acid
SMILESCCC[C@@H](CCCO)NC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-4-7(5-3-6-10)9-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyHFRXNFLCGPLAAX-ZETCQYMHSA-N
MW175.23 g/mol
LogP1.20
Rot. Bonds6

About [(4S)-1-hydroxyheptan-4-yl]carbamic acid

[(4S)-1-hydroxyheptan-4-yl]carbamic acid (PubChem CID 87839547) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is [(4S)-1-hydroxyheptan-4-yl]carbamic acid.

Molecular Properties

Compound Name[(4S)-1-hydroxyheptan-4-yl]carbamic acid
PubChem CID87839547
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name[(4S)-1-hydroxyheptan-4-yl]carbamic acid
SMILESCCC[C@@H](CCCO)NC(=O)O
InChIInChI=1S/C8H17NO3/c1-2-4-7(5-3-6-10)9-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1
InChIKeyHFRXNFLCGPLAAX-ZETCQYMHSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tetracosan-7-ylcarbamic acid
CID 174971308
4-hydroxy-N-octan-4-ylbutanamide
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1-(3-hydroxypropylamino)hexan-2-ylcarbamic acid
CID 166728861
5-hydroxypentan-2-ylcarbamic acid
CID 87586302
1-methylsulfanylheptan-3-ylcarbamic acid
CID 155346909
(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
1,4-dihydroxybutylcarbamic acid
CID 174782853
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
1-(carboxyamino)butylcarbamic acid
CID 174487694
(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
N-pentadecan-4-ylacetamide
CID 87419548

Frequently Asked Questions

What is the IUPAC name of [(4S)-1-hydroxyheptan-4-yl]carbamic acid?
The IUPAC name of [(4S)-1-hydroxyheptan-4-yl]carbamic acid (CID 87839547) is [(4S)-1-hydroxyheptan-4-yl]carbamic acid.
What is the SMILES notation for [(4S)-1-hydroxyheptan-4-yl]carbamic acid?
The canonical SMILES for [(4S)-1-hydroxyheptan-4-yl]carbamic acid is CCC[C@@H](CCCO)NC(=O)O.
What is the InChIKey of [(4S)-1-hydroxyheptan-4-yl]carbamic acid?
The InChIKey is HFRXNFLCGPLAAX-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-4-7(5-3-6-10)9-8(11)12/h7,9-10H,2-6H2,1H3,(H,11,12)/t7-/m0/s1.
What are the key properties of [(4S)-1-hydroxyheptan-4-yl]carbamic acid?
[(4S)-1-hydroxyheptan-4-yl]carbamic acid has a molecular weight of 175.23 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-1-hydroxyheptan-4-yl]carbamic acid is sourced from PubChem (CID 87839547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).