benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride

C20H25ClN2O5 — CID 14037134

IUPACbenzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
SMILESCl.NC(C(=O)OCc1ccccc1)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O5.ClH/c21-18(19(24)26-13-15-7-3-1-4-8-15)17(23)11-12-22-20(25)27-14-16-9-5-2-6-10-16;/h1-10,17-18,23H,11-14,21H2,(H,22,25);1H
InChIKeyRFFLYNQKLPUESF-UHFFFAOYSA-N
MW408.88 g/mol
LogP2.16
Rot. Bonds9

About benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride

benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride (PubChem CID 14037134) has the molecular formula C20H25ClN2O5 and a molecular weight of 408.88 g/mol. Its IUPAC name is benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
PubChem CID14037134
Molecular FormulaC20H25ClN2O5
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Namebenzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
SMILESCl.NC(C(=O)OCc1ccccc1)C(O)CCNC(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O5.ClH/c21-18(19(24)26-13-15-7-3-1-4-8-15)17(23)11-12-22-20(25)27-14-16-9-5-2-6-10-16;/h1-10,17-18,23H,11-14,21H2,(H,22,25);1H
InChIKeyRFFLYNQKLPUESF-UHFFFAOYSA-N
XLogP2.16
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(3R,4S)-3,4,6-trihydroxy-5-oxohexyl]carbamate
CID 15953376
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
benzyl N-[3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butyl]carbamate
CID 171887887
benzyl N-(3,4-dihydroxy-4-pyrimidin-5-ylbutyl)carbamate
CID 171887825
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
CID 11042699
benzyl N-[(3R)-3-hydroxy-5-oxopentyl]carbamate
CID 153495639
benzyl N-[4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171887865
benzyl N-[4-[4-(hydrazinecarbonyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171888820

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride?
The IUPAC name of benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride (CID 14037134) is benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride.
What is the SMILES notation for benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride?
The canonical SMILES for benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride is Cl.NC(C(=O)OCc1ccccc1)C(O)CCNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride?
The InChIKey is RFFLYNQKLPUESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5.ClH/c21-18(19(24)26-13-15-7-3-1-4-8-15)17(23)11-12-22-20(25)27-14-16-9-5-2-6-10-16;/h1-10,17-18,23H,11-14,21H2,(H,22,25);1H.
What are the key properties of benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride?
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride has a molecular weight of 408.88 g/mol, XLogP of 2.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride is sourced from PubChem (CID 14037134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).