[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid

C14H20N2O5 — CID 151722138

IUPAC[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
SMILESO=C(O)NCCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O5/c17-9-12(7-4-8-15-13(18)19)16-14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12,15,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyRIUQNCZWQJFJNC-LBPRGKRZSA-N
MW296.32 g/mol
LogP1.32
Rot. Bonds8

About [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid

[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid (PubChem CID 151722138) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid.

Molecular Properties

Compound Name[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
PubChem CID151722138
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid
SMILESO=C(O)NCCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O5/c17-9-12(7-4-8-15-13(18)19)16-14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12,15,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1
InChIKeyRIUQNCZWQJFJNC-LBPRGKRZSA-N
XLogP1.32
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-trimethylsilylethyl N-[(2R)-1-hydroxy-5-(phenylmethoxycarbonylamino)pentan-2-yl]carbamate
CID 71225263
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
benzyl N-[(2S)-1-[[(3S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopentan-2-yl]carbamate
CID 131727168
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
[(4S)-6,6-dimethyl-4,5-bis(phenylmethoxycarbonylamino)heptyl]carbamic acid
CID 122530700
benzyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 130376705
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
benzyl N-(1-hydroxyoctan-3-yl)carbamate
CID 121391580
benzyl N-[(5S)-6-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]carbamate;methane;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid
CID 158091966
(2S)-5-(benzylamino)-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 18346614

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid?
The IUPAC name of [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid (CID 151722138) is [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid.
What is the SMILES notation for [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid?
The canonical SMILES for [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid is O=C(O)NCCC[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid?
The InChIKey is RIUQNCZWQJFJNC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5/c17-9-12(7-4-8-15-13(18)19)16-14(20)21-10-11-5-2-1-3-6-11/h1-3,5-6,12,15,17H,4,7-10H2,(H,16,20)(H,18,19)/t12-/m0/s1.
What are the key properties of [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid?
[(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid has a molecular weight of 296.32 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-hydroxy-4-(phenylmethoxycarbonylamino)pentyl]carbamic acid is sourced from PubChem (CID 151722138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).