2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid

C8H14N2O2 — CID 69405469

IUPAC2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid
SMILESNC(CCC1=CNCC1)C(=O)O
InChIInChI=1S/C8H14N2O2/c9-7(8(11)12)2-1-6-3-4-10-5-6/h5,7,10H,1-4,9H2,(H,11,12)
InChIKeyQAHHKSIFXKMKFO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.06
Rot. Bonds4

About 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid

2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid (PubChem CID 69405469) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid
PubChem CID69405469
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid
SMILESNC(CCC1=CNCC1)C(=O)O
InChIInChI=1S/C8H14N2O2/c9-7(8(11)12)2-1-6-3-4-10-5-6/h5,7,10H,1-4,9H2,(H,11,12)
InChIKeyQAHHKSIFXKMKFO-UHFFFAOYSA-N
XLogP0.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
(2S)-2-amino-4-phenylbutanoic acid;bohrium
CID 59366799
2-amino-5-oxo-5-sulfanylpentanoic acid
CID 71435123
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
strontium;(2R)-2-aminopentanedioic acid;hydride
CID 173074924
(2R)-2-amino-4-(3-chloro-2,4-difluorophenyl)butanoic acid
CID 171702806
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-amino-4-pyridazin-4-ylbutanoic acid
CID 69404506
2-amino-4-cyclohexa-1,5-dien-3-yn-1-ylbutanoic acid
CID 143549549
(2S)-2,5-diamino-5-oxopentanoic acid;sulfanol
CID 174328641

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid?
The IUPAC name of 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid (CID 69405469) is 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid?
The canonical SMILES for 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid is NC(CCC1=CNCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid?
The InChIKey is QAHHKSIFXKMKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c9-7(8(11)12)2-1-6-3-4-10-5-6/h5,7,10H,1-4,9H2,(H,11,12).
What are the key properties of 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid?
2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid has a molecular weight of 170.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydro-1H-pyrrol-4-yl)butanoic acid is sourced from PubChem (CID 69405469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).