[(4S)-4-amino-5-hydroxypentyl]carbamic acid

C6H14N2O3 — CID 87488946

IUPAC[(4S)-4-amino-5-hydroxypentyl]carbamic acid
SMILESN[C@H](CO)CCCNC(=O)O
InChIInChI=1S/C6H14N2O3/c7-5(4-9)2-1-3-8-6(10)11/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1
InChIKeyPPZKHJPTCHEXCR-YFKPBYRVSA-N
MW162.19 g/mol
LogP-0.65
Rot. Bonds5

About [(4S)-4-amino-5-hydroxypentyl]carbamic acid

[(4S)-4-amino-5-hydroxypentyl]carbamic acid (PubChem CID 87488946) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is [(4S)-4-amino-5-hydroxypentyl]carbamic acid.

Molecular Properties

Compound Name[(4S)-4-amino-5-hydroxypentyl]carbamic acid
PubChem CID87488946
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name[(4S)-4-amino-5-hydroxypentyl]carbamic acid
SMILESN[C@H](CO)CCCNC(=O)O
InChIInChI=1S/C6H14N2O3/c7-5(4-9)2-1-3-8-6(10)11/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1
InChIKeyPPZKHJPTCHEXCR-YFKPBYRVSA-N
XLogP-0.65
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-hydroxybutyl)carbamic acid
CID 129243477
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122
4-[[(5S)-5-amino-6-hydroxyhexyl]amino]-4-oxobutanoic acid
CID 131955130
[4-amino-5-(methanesulfonamido)pentyl]carbamic acid
CID 150141641
[4-hydroxy-3-(hydroxymethyl)butyl]carbamic acid
CID 87694263
3-aminopropylcarbamic acid
CID 3023499
5-cyanopentylcarbamic acid;hydrochloride
CID 88781011
4-aminobutylcarbamic acid;2,6-diaminohexanoic acid
CID 174985893
4-amino-5-hydroxypentanoic acid
CID 162240530
3-hydrazinylpropylcarbamic acid
CID 118306542
CID 162306513
CID 162306513
5-(carbamothioylamino)pentylcarbamic acid
CID 23442541

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-hydroxypentyl]carbamic acid?
The IUPAC name of [(4S)-4-amino-5-hydroxypentyl]carbamic acid (CID 87488946) is [(4S)-4-amino-5-hydroxypentyl]carbamic acid.
What is the SMILES notation for [(4S)-4-amino-5-hydroxypentyl]carbamic acid?
The canonical SMILES for [(4S)-4-amino-5-hydroxypentyl]carbamic acid is N[C@H](CO)CCCNC(=O)O.
What is the InChIKey of [(4S)-4-amino-5-hydroxypentyl]carbamic acid?
The InChIKey is PPZKHJPTCHEXCR-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-5(4-9)2-1-3-8-6(10)11/h5,8-9H,1-4,7H2,(H,10,11)/t5-/m0/s1.
What are the key properties of [(4S)-4-amino-5-hydroxypentyl]carbamic acid?
[(4S)-4-amino-5-hydroxypentyl]carbamic acid has a molecular weight of 162.19 g/mol, XLogP of -0.65, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-5-hydroxypentyl]carbamic acid is sourced from PubChem (CID 87488946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).