3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid

C9H17N3O3 — CID 62067755

IUPAC3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCC(N)C1
InChIInChI=1S/C9H17N3O3/c1-6(4-8(13)14)11-9(15)12-3-2-7(10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyOPRIJXNFVZJQRI-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.41
Rot. Bonds3

About 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid

3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 62067755) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID62067755
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)N1CCC(N)C1
InChIInChI=1S/C9H17N3O3/c1-6(4-8(13)14)11-9(15)12-3-2-7(10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyOPRIJXNFVZJQRI-UHFFFAOYSA-N
XLogP-0.41
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-aminopyrrolidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 81069884
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
3-[(3,4-dimethylpiperazine-1-carbonyl)amino]butanoic acid
CID 63605097
3-[(3-methoxypiperidine-1-carbonyl)amino]butanoic acid
CID 102962940
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)butanoic acid
CID 55165606
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
CID 61216878
3-(hydroxymethyl)-N-(5-methylhexan-2-yl)pyrrolidine-1-carboxamide
CID 111443461
(2S)-2-[[3-(aminomethyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62062405
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid (CID 62067755) is 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)N1CCC(N)C1.
What is the InChIKey of 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is OPRIJXNFVZJQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-6(4-8(13)14)11-9(15)12-3-2-7(10)5-12/h6-7H,2-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid?
3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 62067755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).