2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid

C9H17N3O3 — CID 70945574

IUPAC2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(8(13)14)3-4-11-9(15)12-5-1-2-6-12/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyQYFUDRAPVMZJAJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.41
Rot. Bonds4

About 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid

2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid (PubChem CID 70945574) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
PubChem CID70945574
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid
SMILESNC(CCNC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C9H17N3O3/c10-7(8(13)14)3-4-11-9(15)12-5-1-2-6-12/h7H,1-6,10H2,(H,11,15)(H,13,14)
InChIKeyQYFUDRAPVMZJAJ-UHFFFAOYSA-N
XLogP-0.41
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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

2-amino-4-(azetidine-1-carbonylamino)butanoic acid
CID 70945804
(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
CID 67154382
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylcarbamoylamino)butanoic acid
CID 67154377
6-[(4-acetylpiperazine-1-carbonyl)amino]-2-aminohexanoic acid
CID 130218221
(2S)-2-aminopropanoic acid;N-ethylpyrrolidine-1-carboxamide
CID 175256682
2-amino-4-(6,8-dihydro-5H-1,7-naphthyridine-7-carbonylamino)butanoic acid
CID 70945544
N-[2-(propan-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 79162037
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
N-(3-methylsulfinylbutyl)piperidine-1-carboxamide
CID 116657935
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
(2S)-2-amino-4-[(4-oxo-4-piperazin-1-ylbutanoyl)amino]butanoic acid
CID 67155036

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The IUPAC name of 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid (CID 70945574) is 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid is NC(CCNC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid?
The InChIKey is QYFUDRAPVMZJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c10-7(8(13)14)3-4-11-9(15)12-5-1-2-6-12/h7H,1-6,10H2,(H,11,15)(H,13,14).
What are the key properties of 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid?
2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(pyrrolidine-1-carbonylamino)butanoic acid is sourced from PubChem (CID 70945574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).