(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid

C11H23N3O3 — CID 98534737

IUPAC(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CCN(C)C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-5-6-9(10(15)16)12-11(17)14(4)8-7-13(2)3/h9H,5-8H2,1-4H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyRRLHHCYKPNCCNL-VIFPVBQESA-N
MW245.32 g/mol
LogP0.44
Rot. Bonds7

About (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid

(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid (PubChem CID 98534737) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
PubChem CID98534737
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N(C)CCN(C)C)C(=O)O
InChIInChI=1S/C11H23N3O3/c1-5-6-9(10(15)16)12-11(17)14(4)8-7-13(2)3/h9H,5-8H2,1-4H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeyRRLHHCYKPNCCNL-VIFPVBQESA-N
XLogP0.44
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid 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

2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
2-[[butyl(methyl)carbamoyl]amino]pentanoic acid
CID 61184623
5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 114005644
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
(2S)-4-hydroxy-2-[[methyl(pentyl)carbamoyl]amino]butanoic acid
CID 107826115
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
(2R)-2-[[butyl(ethyl)carbamoyl]amino]pentanoic acid
CID 107565990
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid (CID 98534737) is (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid is CCC[C@H](NC(=O)N(C)CCN(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid?
The InChIKey is RRLHHCYKPNCCNL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O3/c1-5-6-9(10(15)16)12-11(17)14(4)8-7-13(2)3/h9H,5-8H2,1-4H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid?
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid is sourced from PubChem (CID 98534737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).