(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid

C7H11NO4 — CID 10176324

IUPAC(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1
InChIKeyZLKKUEAUAXFRAV-STGXQOJASA-N
MW173.17 g/mol
LogP-0.63
Rot. Bonds3

About (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid

(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid (PubChem CID 10176324) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid
PubChem CID10176324
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid
SMILESC[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O
InChIInChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1
InChIKeyZLKKUEAUAXFRAV-STGXQOJASA-N
XLogP-0.63
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 ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid?
The IUPAC name of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid (CID 10176324) is (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid is C[C@H]1[C@H](C(=O)O)[C@H]1[C@H](N)C(=O)O.
What is the InChIKey of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid?
The InChIKey is ZLKKUEAUAXFRAV-STGXQOJASA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-3(4(2)6(9)10)5(8)7(11)12/h2-5H,8H2,1H3,(H,9,10)(H,11,12)/t2-,3+,4+,5+/m1/s1.
What are the key properties of (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid?
(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10176324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).