(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide

C12H26N4O2 — CID 89418902

IUPAC(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)N(C)C(=O)NC[C@H](C)N
InChIInChI=1S/C12H26N4O2/c1-8(2)6-10(11(17)14-4)16(5)12(18)15-7-9(3)13/h8-10H,6-7,13H2,1-5H3,(H,14,17)(H,15,18)/t9-,10-/m0/s1
InChIKeyMPJZEFWPFVEBOH-UWVGGRQHSA-N
MW258.37 g/mol
LogP0.14
Rot. Bonds6

About (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide

(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide (PubChem CID 89418902) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide
PubChem CID89418902
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide
SMILESCNC(=O)[C@H](CC(C)C)N(C)C(=O)NC[C@H](C)N
InChIInChI=1S/C12H26N4O2/c1-8(2)6-10(11(17)14-4)16(5)12(18)15-7-9(3)13/h8-10H,6-7,13H2,1-5H3,(H,14,17)(H,15,18)/t9-,10-/m0/s1
InChIKeyMPJZEFWPFVEBOH-UWVGGRQHSA-N
XLogP0.14
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide 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-(2-Methylpropyl)imidazolidine-2,4-dione
CID 100892
(2S)-N-(2-amino-2-oxoethyl)-4-methyl-2-[[(2S)-pyrrolidin-2-yl]methylamino]pentanamide
CID 131032
Chrysosporide
CID 16091636
Pareptide
CID 10086055
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
Ac-leu-nhme
CID 6950977
(S)-5-(Isobutyl)imidazolidine-2,4-dione
CID 700302
d-5-Isobutylhydantoin
CID 700303
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
2-[[(3S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57341633
2-[[(3R)-1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]amino]acetamide
CID 57343683
Glycylleucinamid
CID 6994313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide (CID 89418902) is (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide is CNC(=O)[C@H](CC(C)C)N(C)C(=O)NC[C@H](C)N.
What is the InChIKey of (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide?
The InChIKey is MPJZEFWPFVEBOH-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-8(2)6-10(11(17)14-4)16(5)12(18)15-7-9(3)13/h8-10H,6-7,13H2,1-5H3,(H,14,17)(H,15,18)/t9-,10-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide?
(2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide has a molecular weight of 258.37 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-aminopropyl]carbamoyl-methylamino]-N,4-dimethylpentanamide is sourced from PubChem (CID 89418902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).