2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate

C10H21N3O3 — CID 83210194

IUPAC2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
SMILESCC(CCN)CCC(=O)NCCOC(N)=O
InChIInChI=1S/C10H21N3O3/c1-8(4-5-11)2-3-9(14)13-6-7-16-10(12)15/h8H,2-7,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOWXAXRNLUNCERT-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.04
Rot. Bonds8

About 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate

2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate (PubChem CID 83210194) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
PubChem CID83210194
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate
SMILESCC(CCN)CCC(=O)NCCOC(N)=O
InChIInChI=1S/C10H21N3O3/c1-8(4-5-11)2-3-9(14)13-6-7-16-10(12)15/h8H,2-7,11H2,1H3,(H2,12,15)(H,13,14)
InChIKeyOWXAXRNLUNCERT-UHFFFAOYSA-N
XLogP-0.04
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.04
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-[(5-amino-4-methylpentanoyl)amino]ethyl carbamate
CID 83210908
2-[3-(propan-2-ylamino)propanoylamino]ethyl carbamate
CID 83210184
6-amino-4-methyl-N-(4,4,4-trifluorobutyl)hexanamide
CID 113327466
2-[3-(tert-butylamino)propanoylamino]ethyl carbamate
CID 83209424
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
2-[[(2S)-2-aminopropanoyl]amino]ethyl carbamate
CID 83211892
2-(2-aminopropanoylamino)ethyl carbamate
CID 83209218
6-amino-4-methyl-N-(2,2,3-trimethylbutyl)hexanamide
CID 114100113
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-4-methylpentanamide
CID 162756086
2-(2-sulfanylpropanoylamino)ethyl carbamate
CID 107034140
6-amino-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylhexanamide
CID 114112929
2-[[2-(ethylamino)acetyl]amino]ethyl carbamate
CID 83211277

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate?
The IUPAC name of 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate (CID 83210194) is 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate is CC(CCN)CCC(=O)NCCOC(N)=O.
What is the InChIKey of 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate?
The InChIKey is OWXAXRNLUNCERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-8(4-5-11)2-3-9(14)13-6-7-16-10(12)15/h8H,2-7,11H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate?
2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate has a molecular weight of 231.30 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-4-methylhexanoyl)amino]ethyl carbamate is sourced from PubChem (CID 83210194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).