trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid

C6H9NO4 — CID 5310956

IUPACtrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
InChIKeyGZOVEPYOCJWRFC-HZLVTQRSSA-N
MW159.14 g/mol
LogP-0.88
Rot. Bonds3

About trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid

trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid (PubChem CID 5310956) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid
PubChem CID5310956
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Nametrans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid
SMILESN[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1
InChIKeyGZOVEPYOCJWRFC-HZLVTQRSSA-N
XLogP-0.88
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid (CID 5310956) is trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid is N[C@H](C(=O)O)[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is GZOVEPYOCJWRFC-HZLVTQRSSA-N. The full InChI is InChI=1S/C6H9NO4/c7-4(6(10)11)2-1-3(2)5(8)9/h2-4H,1,7H2,(H,8,9)(H,10,11)/t2-,3-,4-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(S)-amino(carboxy)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 5310956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).