benzyl N-(2,5-diaminopentanoyl)carbamate

C13H19N3O3 — CID 67793567

IUPACbenzyl N-(2,5-diaminopentanoyl)carbamate
SMILESNCCCC(N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-8-4-7-11(15)12(17)16-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14-15H2,(H,16,17,18)
InChIKeyTVUWAUPRLSPONW-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.51
Rot. Bonds6

About benzyl N-(2,5-diaminopentanoyl)carbamate

benzyl N-(2,5-diaminopentanoyl)carbamate (PubChem CID 67793567) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl N-(2,5-diaminopentanoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2,5-diaminopentanoyl)carbamate
PubChem CID67793567
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namebenzyl N-(2,5-diaminopentanoyl)carbamate
SMILESNCCCC(N)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19N3O3/c14-8-4-7-11(15)12(17)16-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14-15H2,(H,16,17,18)
InChIKeyTVUWAUPRLSPONW-UHFFFAOYSA-N
XLogP0.51
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
CID 173414355
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl 6-amino-2-(2,6-diaminohexanoylamino)hexanoate
CID 57051472
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-(phenylmethoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10819296
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl N-(3-aminopropanoyl)carbamate
CID 54479844
(2S)-2-amino-5-[bis(phenylmethoxycarbonylamino)methylideneamino]pentanoic acid
CID 11080721

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2,5-diaminopentanoyl)carbamate?
The IUPAC name of benzyl N-(2,5-diaminopentanoyl)carbamate (CID 67793567) is benzyl N-(2,5-diaminopentanoyl)carbamate.
What is the SMILES notation for benzyl N-(2,5-diaminopentanoyl)carbamate?
The canonical SMILES for benzyl N-(2,5-diaminopentanoyl)carbamate is NCCCC(N)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2,5-diaminopentanoyl)carbamate?
The InChIKey is TVUWAUPRLSPONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c14-8-4-7-11(15)12(17)16-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14-15H2,(H,16,17,18).
What are the key properties of benzyl N-(2,5-diaminopentanoyl)carbamate?
benzyl N-(2,5-diaminopentanoyl)carbamate has a molecular weight of 265.31 g/mol, XLogP of 0.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2,5-diaminopentanoyl)carbamate is sourced from PubChem (CID 67793567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).