benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate

C20H24N2O4 — CID 14808146

IUPACbenzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
SMILESN[C@H](CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c21-18(19(23)25-14-16-8-3-1-4-9-16)12-7-13-22-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,21H2,(H,22,24)/t18-/m1/s1
InChIKeyUEWJMZFPUBXDNV-GOSISDBHSA-N
MW356.42 g/mol
LogP2.76
Rot. Bonds9

About benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate

benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 14808146) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
PubChem CID14808146
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namebenzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
SMILESN[C@H](CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C20H24N2O4/c21-18(19(23)25-14-16-8-3-1-4-9-16)12-7-13-22-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,21H2,(H,22,24)/t18-/m1/s1
InChIKeyUEWJMZFPUBXDNV-GOSISDBHSA-N
XLogP2.76
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
bis(2-amino-6-(phenylmethoxycarbonylamino)hexanoic acid);copper
CID 10579765
(2S)-2-amino-7-(phenylmethoxycarbonylamino)heptanoic acid
CID 23561663
2-methylpropyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 154988305
phenacyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 70089794
benzyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 70245619
2-trimethylsilylethyl 2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 20626808
benzyl (2R)-2-[[(2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate;hydrochloride
CID 70414486
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
benzyl N-[(4S)-4-amino-5-[[(1R)-2-hydroxy-1-phenylethyl]amino]-5-oxopentyl]carbamate
CID 131722058

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate (CID 14808146) is benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate is N[C@H](CCCNC(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is UEWJMZFPUBXDNV-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O4/c21-18(19(23)25-14-16-8-3-1-4-9-16)12-7-13-22-20(24)26-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15,21H2,(H,22,24)/t18-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate?
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 356.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 14808146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).