2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate

C9H19N3O3 — CID 83210908

IUPAC2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
SMILESCC(CN)CCC(=O)NCCOC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(6-10)2-3-8(13)12-4-5-15-9(11)14/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAYUYHBDZVPECCU-UHFFFAOYSA-N
MW217.27 g/mol
LogP-0.43
Rot. Bonds7

About 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate

2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate (PubChem CID 83210908) has the molecular formula C9H19N3O3 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
PubChem CID83210908
Molecular FormulaC9H19N3O3
Molecular Weight217.27 g/mol
Exact Mass217.14
IUPAC Name2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
SMILESCC(CN)CCC(=O)NCCOC(N)=O
InChIInChI=1S/C9H19N3O3/c1-7(6-10)2-3-8(13)12-4-5-15-9(11)14/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13)
InChIKeyAYUYHBDZVPECCU-UHFFFAOYSA-N
XLogP-0.43
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
CID 83210194
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
5-amino-4-methyl-N-[2-(2-methylpropanoylamino)ethyl]pentanamide
CID 82012399
ethyl 3-[(5-amino-4-methylpentanoyl)amino]propanoate
CID 82011532
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
5-amino-N-(4-hydroxybutyl)-4-methylpentanamide
CID 106842029
5-[(5-amino-4-methylpentanoyl)amino]pentanoic acid
CID 82689538
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
5-amino-N-(3-cyanopropyl)-4-methylpentanamide
CID 82010988
5-amino-4-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]pentanamide
CID 82011389
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
N-(5-amino-4-methylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 106152917

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate (CID 83210908) is 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate is CC(CN)CCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate?
The InChIKey is AYUYHBDZVPECCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3/c1-7(6-10)2-3-8(13)12-4-5-15-9(11)14/h7H,2-6,10H2,1H3,(H2,11,14)(H,12,13).
What are the key properties of 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate?
2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate has a molecular weight of 217.27 g/mol, XLogP of -0.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate is sourced from PubChem (CID 83210908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).