propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate

C14H28N2O3 — CID 119787715

IUPACpropan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
SMILESCNCC(C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)7-12(14(18)19-10(3)4)16-13(17)11(5)8-15-6/h9-12,15H,7-8H2,1-6H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyFSDXWVLRNMRGOX-KIYNQFGBSA-N
MW272.39 g/mol
LogP1.32
Rot. Bonds8

About propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate

propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate (PubChem CID 119787715) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
PubChem CID119787715
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namepropan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate
SMILESCNCC(C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C
InChIInChI=1S/C14H28N2O3/c1-9(2)7-12(14(18)19-10(3)4)16-13(17)11(5)8-15-6/h9-12,15H,7-8H2,1-6H3,(H,16,17)/t11?,12-/m0/s1
InChIKeyFSDXWVLRNMRGOX-KIYNQFGBSA-N
XLogP1.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate 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

propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate;hydrochloride
CID 119787714
propan-2-yl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoate
CID 119326001
4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoic acid
CID 79202207
methyl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-4-methylpentanoate
CID 159698118
methyl 4-methyl-2-(propan-2-yloxycarbonylamino)pentanoate
CID 14463277
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
methyl 2-(2-hydroxypropanoylamino)-4-methylpentanoate
CID 85353030
methyl (2R)-2-[(2,2-dichloroacetyl)amino]-4-methylpentanoate
CID 2287365
propan-2-yl (2S)-2-amino-3-(methylamino)propanoate;hydrochloride
CID 154776096
2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
methyl 2-[[(2S)-2,4-dimethylpentanoyl]amino]butanoate
CID 170397026
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate?
The IUPAC name of propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate (CID 119787715) is propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate.
What is the SMILES notation for propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate?
The canonical SMILES for propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate is CNCC(C)C(=O)N[C@@H](CC(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate?
The InChIKey is FSDXWVLRNMRGOX-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-9(2)7-12(14(18)19-10(3)4)16-13(17)11(5)8-15-6/h9-12,15H,7-8H2,1-6H3,(H,16,17)/t11?,12-/m0/s1.
What are the key properties of propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate?
propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-4-methyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]pentanoate is sourced from PubChem (CID 119787715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).