2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid

C7H11NO4 — CID 19702198

IUPAC2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid
SMILESCC(N)(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyKFACHLANPCGTFI-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.49
Rot. Bonds3

About 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid

2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid (PubChem CID 19702198) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid
PubChem CID19702198
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid
SMILESCC(N)(C(=O)O)C1CC1C(=O)O
InChIInChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyKFACHLANPCGTFI-UHFFFAOYSA-N
XLogP-0.49
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Acpd
CID 104766
L-Ccg-I
CID 5310956
(1S,3S)-1-aminocyclopentane-1,3-dicarboxylic acid
CID 6604704
(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclopropane-1-carboxylic acid
CID 5310958
(alpha-Carboxycyclopropyl)glycine
CID 1271
1-amino-1,3-dicarboxycyclopentane, trans-(1R,3S)-
CID 73537
Mccg-I
CID 5311457
2-(Amino-carboxy-methyl)-3-methyl-cyclopropanecarboxylic acid
CID 10176324
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid
CID 11041194
L-CCG-lll
CID 5310957
(A+-)-1-Amino-cis-cyclopentane-1,3-dicarboxylic acid
CID 231345
trans-(1S,2S)-2-(1-amino-1-carboxy-2-cyclohexylethyl)cyclopropane-1-carboxylic acid
CID 10515174

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid (CID 19702198) is 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid is CC(N)(C(=O)O)C1CC1C(=O)O.
What is the InChIKey of 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid?
The InChIKey is KFACHLANPCGTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-7(8,6(11)12)4-2-3(4)5(9)10/h3-4H,2,8H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid?
2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-1-carboxyethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 19702198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).