1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H16N2O3 — CID 145215722

IUPAC1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CN1CC=CC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H16N2O3/c14-9(7-13-5-1-2-6-13)12-8-11(3-4-11)10(15)16/h1-2H,3-8H2,(H,12,14)(H,15,16)
InChIKeyNJCOZLSBUOEATP-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.16
Rot. Bonds5

About 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 145215722) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID145215722
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(CN1CC=CC1)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H16N2O3/c14-9(7-13-5-1-2-6-13)12-8-11(3-4-11)10(15)16/h1-2H,3-8H2,(H,12,14)(H,15,16)
InChIKeyNJCOZLSBUOEATP-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-Oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 54095787
3-[Cyclopropyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 60838692
3-Methyl-1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63148068
3-Methyl-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63148595
3-[[2-[Bis(prop-2-enyl)amino]-2-oxoethyl]amino]-2,2,3-trimethylbutanoic acid
CID 65265337
2-[[[2-(Prop-2-enylamino)acetyl]amino]methyl]butanoic acid
CID 79277867
1-[2-(Prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 79278757
3-[Cyclopropyl-[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79279079
3-Methyl-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 79280582
3-Methyl-2-[[[2-(prop-2-enylamino)acetyl]amino]methyl]butanoic acid
CID 79280616
1-[(2-Aminopent-4-enoylamino)methyl]cyclopropane-1-carboxylic acid
CID 81778878
2-Methyl-2-[[[2-(prop-2-enylamino)acetyl]amino]methyl]butanoic acid
CID 81946712

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 145215722) is 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(CN1CC=CC1)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is NJCOZLSBUOEATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9(7-13-5-1-2-6-13)12-8-11(3-4-11)10(15)16/h1-2H,3-8H2,(H,12,14)(H,15,16).
What are the key properties of 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of -0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,5-dihydropyrrol-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 145215722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).