ethyl N-(1-amino-3-methylbutan-2-yl)carbamate

C8H18N2O2 — CID 62314871

IUPACethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCCOC(=O)NC(CN)C(C)C
InChIInChI=1S/C8H18N2O2/c1-4-12-8(11)10-7(5-9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeySBJOWOBACOHJCL-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.72
Rot. Bonds4

About ethyl N-(1-amino-3-methylbutan-2-yl)carbamate

ethyl N-(1-amino-3-methylbutan-2-yl)carbamate (PubChem CID 62314871) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is ethyl N-(1-amino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-amino-3-methylbutan-2-yl)carbamate
PubChem CID62314871
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nameethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCCOC(=O)NC(CN)C(C)C
InChIInChI=1S/C8H18N2O2/c1-4-12-8(11)10-7(5-9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11)
InChIKeySBJOWOBACOHJCL-UHFFFAOYSA-N
XLogP0.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-(1-amino-3-methylbutan-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 151488236
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 142714214
ethyl N-(6-chloro-2-methyl-5-oxohexan-3-yl)carbamate
CID 104701858
ethyl N-propan-2-ylcarbamate;hydrochloride
CID 23364233
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 15726645
ethyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate
CID 130166517
ethyl N-[(3S)-2,5-dimethyl-4-oxohexan-3-yl]carbamate
CID 59090885
ethyl N-(2-methyl-4-oxohexan-3-yl)carbamate
CID 90967587
ethyl N-(1-bromopropan-2-yl)carbamate
CID 174248965
ethyl N-(1-hydroxypropyl)carbamate
CID 87232302

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The IUPAC name of ethyl N-(1-amino-3-methylbutan-2-yl)carbamate (CID 62314871) is ethyl N-(1-amino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for ethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for ethyl N-(1-amino-3-methylbutan-2-yl)carbamate is CCOC(=O)NC(CN)C(C)C.
What is the InChIKey of ethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The InChIKey is SBJOWOBACOHJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-4-12-8(11)10-7(5-9)6(2)3/h6-7H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of ethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
ethyl N-(1-amino-3-methylbutan-2-yl)carbamate has a molecular weight of 174.24 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-amino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 62314871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).