(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C11H20N2O4 — CID 81086839

IUPAC(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(CN)CC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-7(5-12)3-10(15)13-6-8(14)4-9(13)11(16)17/h7-9,14H,2-6,12H2,1H3,(H,16,17)/t7?,8?,9-/m0/s1
InChIKeyJCCTWDLNWWMIAJ-HACHORDNSA-N
MW244.29 g/mol
LogP-0.59
Rot. Bonds5

About (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 81086839) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID81086839
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCC(CN)CC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C11H20N2O4/c1-2-7(5-12)3-10(15)13-6-8(14)4-9(13)11(16)17/h7-9,14H,2-6,12H2,1H3,(H,16,17)/t7?,8?,9-/m0/s1
InChIKeyJCCTWDLNWWMIAJ-HACHORDNSA-N
XLogP-0.59
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic 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,4R)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079611
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737
1-[3-(aminomethyl)pentanoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 81086647
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-1-[3-(ethylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842673
1-[3-(aminomethyl)pentanoyl]azepane-2-carboxylic acid
CID 81079150
(2R,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 30079769
(2R,4R)-1-(3-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000057
(2S,4R)-1-(2-tert-butylsulfanylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778378
(2R,4R)-1-(2-ethoxyacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778390

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 81086839) is (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCC(CN)CC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JCCTWDLNWWMIAJ-HACHORDNSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-2-7(5-12)3-10(15)13-6-8(14)4-9(13)11(16)17/h7-9,14H,2-6,12H2,1H3,(H,16,17)/t7?,8?,9-/m0/s1.
What are the key properties of (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(aminomethyl)pentanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81086839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).