benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate

C14H20N2O3 — CID 150888209

IUPACbenzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
SMILESCC(C)C[C@@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-12(15)13(17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyKXLXKVIBRIXSJQ-GFCCVEGCSA-N
MW264.32 g/mol
LogP1.81
Rot. Bonds5

About benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate

benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate (PubChem CID 150888209) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
PubChem CID150888209
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
SMILESCC(C)C[C@@H](N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)8-12(15)13(17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17,18)/t12-/m1/s1
InChIKeyKXLXKVIBRIXSJQ-GFCCVEGCSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate
CID 16742166
benzyl N-[(2-amino-4-methylpentanoyl)amino]carbamate;2,2,2-trifluoroacetic acid
CID 91976579
benzyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoate;hydrochloride
CID 16742165
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl 2-amino-4-methylpentanoate;hydrochloride
CID 19885596
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
bis(benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate);hydrate
CID 70485700
(3S)-3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-oxo-4-[[(2R)-1-oxo-3-phenyl-1-(phenylmethoxycarbonylamino)-3-sulfanylidenepropan-2-yl]amino]butanoic acid
CID 88515952
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839
benzyl N-[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]carbamate
CID 175450786

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate?
The IUPAC name of benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate (CID 150888209) is benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate?
The canonical SMILES for benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate is CC(C)C[C@@H](N)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate?
The InChIKey is KXLXKVIBRIXSJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)8-12(15)13(17)16-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,15H2,1-2H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate?
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate is sourced from PubChem (CID 150888209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).