(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid

C10H15NO5 — CID 61151881

IUPAC(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(5-6-1-2-6)11-7(10(15)16)3-4-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyHRYXFFUCZYTYDM-ZETCQYMHSA-N
MW229.23 g/mol
LogP0.22
Rot. Bonds7

About (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid

(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid (PubChem CID 61151881) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
PubChem CID61151881
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)CC1CC1)C(=O)O
InChIInChI=1S/C10H15NO5/c12-8(5-6-1-2-6)11-7(10(15)16)3-4-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChIKeyHRYXFFUCZYTYDM-ZETCQYMHSA-N
XLogP0.22
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic 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

(2S)-2-[(2-cycloheptylacetyl)amino]pentanedioic acid
CID 104928841
2-[(2-cyclopropylacetyl)amino]pentanoic acid
CID 43630437
(2S)-2-[(2-piperidin-3-ylacetyl)amino]pentanedioic acid
CID 62676165
2-[(2-cyclopropylacetyl)amino]hexanoic acid
CID 43469695
(2S)-2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 107822267
2-[(2-cyclobutylacetyl)amino]-4-hydroxybutanoic acid
CID 103161841
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364
(2S)-5-amino-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 61160975
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]pentanedioic acid
CID 65157565
2-[(2-cyclobutylacetyl)amino]butanedioic acid
CID 103162089
(2S)-2-(cyclopropylmethylcarbamoylamino)pentanedioic acid
CID 61183186
(2S)-2-[[2-(cyclopropylamino)acetyl]amino]pentanedioic acid
CID 61160783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid?
The IUPAC name of (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid (CID 61151881) is (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid is O=C(O)CC[C@H](NC(=O)CC1CC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid?
The InChIKey is HRYXFFUCZYTYDM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8(5-6-1-2-6)11-7(10(15)16)3-4-9(13)14/h6-7H,1-5H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid?
(2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid has a molecular weight of 229.23 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopropylacetyl)amino]pentanedioic acid is sourced from PubChem (CID 61151881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).