tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate

C16H26N2O2 — CID 141144615

IUPACtert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate
SMILESCN(CCC(N)C(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)14(17)10-11-18(4)12-13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3
InChIKeyNUNUNNGVENCVPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate

tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate (PubChem CID 141144615) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate
PubChem CID141144615
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Nametert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate
SMILESCN(CCC(N)C(=O)OC(C)(C)C)Cc1ccccc1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)14(17)10-11-18(4)12-13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3
InChIKeyNUNUNNGVENCVPN-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate 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

5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
2-O-tert-butyl 1-O,1-O-dimethyl (2R)-3-[benzyl(methyl)amino]propane-1,1,2-tricarboxylate
CID 121345421
2-[2-[benzyl(methyl)amino]ethyl]-3,3-dimethylbutanoic acid
CID 90411500
(2R)-4-[benzyl(methyl)amino]-1-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 58837038
tert-butyl 4-[N'-[2-[benzyl(methyl)amino]ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111078745
8-O-benzyl 1-O-tert-butyl (2S)-2-aminooctanedioate
CID 163596511
2-amino-4-[methyl-[(4-methylphenyl)methyl]amino]butanoic acid
CID 115241256
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[benzyl(methyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 175886823
(2R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpentanoic acid
CID 56923716
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
tert-butyl 2-[3-[benzyl(methyl)amino]propylamino]acetate
CID 60680973
tert-butyl (2S,3S)-3-[benzyl-[(1S)-1-phenylethyl]amino]-2-methylbutanoate
CID 131736615

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate?
The IUPAC name of tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate (CID 141144615) is tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate.
What is the SMILES notation for tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate?
The canonical SMILES for tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate is CN(CCC(N)C(=O)OC(C)(C)C)Cc1ccccc1.
What is the InChIKey of tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate?
The InChIKey is NUNUNNGVENCVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)20-15(19)14(17)10-11-18(4)12-13-8-6-5-7-9-13/h5-9,14H,10-12,17H2,1-4H3.
What are the key properties of tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate?
tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate has a molecular weight of 278.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-[benzyl(methyl)amino]butanoate is sourced from PubChem (CID 141144615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).