benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate

C16H24N2O4 — CID 54265370

IUPACbenzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate
SMILESCCCCCN(C(=O)OCc1ccccc1)[C@@H](CO)C(N)=O
InChIInChI=1S/C16H24N2O4/c1-2-3-7-10-18(14(11-19)15(17)20)16(21)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,2-3,7,10-12H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyRGJJRDNHHSAYNE-AWEZNQCLSA-N
MW308.38 g/mol
LogP1.66
Rot. Bonds9

About benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate

benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate (PubChem CID 54265370) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate
PubChem CID54265370
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Namebenzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate
SMILESCCCCCN(C(=O)OCc1ccccc1)[C@@H](CO)C(N)=O
InChIInChI=1S/C16H24N2O4/c1-2-3-7-10-18(14(11-19)15(17)20)16(21)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,2-3,7,10-12H2,1H3,(H2,17,20)/t14-/m0/s1
InChIKeyRGJJRDNHHSAYNE-AWEZNQCLSA-N
XLogP1.66
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(carbamothioylamino)-phenylmethoxycarbonylamino]hexanoic acid
CID 54256681
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl acetate;dodecane
CID 138609592
(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-hydroxypropanoic acid
CID 69435084
nonyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 91699669
(2S)-2-[pent-4-enyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 164754362
3-[ethyl(phenylmethoxycarbonyl)amino]butanoic acid
CID 62821393
benzyl N-(2,3-dihydroxypropyl)-N-ethylcarbamate
CID 139796649
benzyl N-benzyl-N-oct-1-ynylcarbamate
CID 132962120
benzyl N-methyl-N-(2-propylheptyl)carbamate
CID 139325208
benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl 2-decyldodecanoate
CID 129279401

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate?
The IUPAC name of benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate (CID 54265370) is benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate.
What is the SMILES notation for benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate?
The canonical SMILES for benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate is CCCCCN(C(=O)OCc1ccccc1)[C@@H](CO)C(N)=O.
What is the InChIKey of benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate?
The InChIKey is RGJJRDNHHSAYNE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-2-3-7-10-18(14(11-19)15(17)20)16(21)22-12-13-8-5-4-6-9-13/h4-6,8-9,14,19H,2-3,7,10-12H2,1H3,(H2,17,20)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate?
benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate has a molecular weight of 308.38 g/mol, XLogP of 1.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-N-pentylcarbamate is sourced from PubChem (CID 54265370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).