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

C7H11NO4 — CID 5311457

IUPACtrans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid
SMILESC[C@@](N)(C(=O)O)[C@H]1C[C@@H]1C(=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)/t3-,4-,7-/m0/s1
InChIKeyKFACHLANPCGTFI-FVSJBQLASA-N
MW173.17 g/mol
LogP-0.49
Rot. Bonds3

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

trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid (PubChem CID 5311457) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid
PubChem CID5311457
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nametrans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid
SMILESC[C@@](N)(C(=O)O)[C@H]1C[C@@H]1C(=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)/t3-,4-,7-/m0/s1
InChIKeyKFACHLANPCGTFI-FVSJBQLASA-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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid (CID 5311457) is trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid is C[C@@](N)(C(=O)O)[C@H]1C[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid?
The InChIKey is KFACHLANPCGTFI-FVSJBQLASA-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)/t3-,4-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-[(1S)-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 trans-(1S,2S)-2-[(1S)-1-amino-1-carboxyethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 5311457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).