benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate

C14H22N2O3 — CID 167763104

IUPACbenzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
SMILESCOCCN[C@@H](C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-12(15-8-9-18-2)10-16-14(17)19-11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyMSCJRDQIAWJJOL-LBPRGKRZSA-N
MW266.34 g/mol
LogP1.54
Rot. Bonds8

About benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate

benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate (PubChem CID 167763104) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
PubChem CID167763104
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namebenzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate
SMILESCOCCN[C@@H](C)CNC(=O)OCc1ccccc1
InChIInChI=1S/C14H22N2O3/c1-12(15-8-9-18-2)10-16-14(17)19-11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3,(H,16,17)/t12-/m0/s1
InChIKeyMSCJRDQIAWJJOL-LBPRGKRZSA-N
XLogP1.54
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.54
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

benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
methyl 3-methoxy-2-[3-(phenylmethoxycarbonylamino)propylamino]propanoate
CID 70963493
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
methyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130148530
benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
benzyl N-[(2S)-4-amino-2-methyl-4-oxobutyl]carbamate
CID 118167943
benzyl 3-amino-4-(2-methoxyethylamino)-4-oxobutanoate
CID 10016506
methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate
CID 67908233

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate (CID 167763104) is benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate is COCCN[C@@H](C)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate?
The InChIKey is MSCJRDQIAWJJOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12(15-8-9-18-2)10-16-14(17)19-11-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3,(H,16,17)/t12-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate?
benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate has a molecular weight of 266.34 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-(2-methoxyethylamino)propyl]carbamate is sourced from PubChem (CID 167763104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).