2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid

C8H13NO4 — CID 11160410

IUPAC2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid
SMILESCOC(=O)[C@@H]1C[C@H]1CC(N)C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-8(12)5-2-4(5)3-6(9)7(10)11/h4-6H,2-3,9H2,1H3,(H,10,11)/t4-,5+,6?/m0/s1
InChIKeyAUGUVXXCNMLZFK-YRZWDFBDSA-N
MW187.19 g/mol
LogP-0.40
Rot. Bonds4

About 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid

2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid (PubChem CID 11160410) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid
PubChem CID11160410
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid
SMILESCOC(=O)[C@@H]1C[C@H]1CC(N)C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-8(12)5-2-4(5)3-6(9)7(10)11/h4-6H,2-3,9H2,1H3,(H,10,11)/t4-,5+,6?/m0/s1
InChIKeyAUGUVXXCNMLZFK-YRZWDFBDSA-N
XLogP-0.40
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-ethyl (1R,2S)-2-[(2R)-2-amino-3-ethoxy-3-oxopropyl]cyclopropane-1-carboxylate
CID 57095228
CID 89108103
CID 89108103
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
CID 167735532
(2S)-2-amino-3-[(1S,2R)-2-(aminomethyl)cyclopropyl]propanoic acid
CID 102103507
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-[2-(4-hydroxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83930458
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
methyl 2-[2-(4-fluorophenyl)propyl]cyclopropane-1-carboxylate
CID 83931003

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid?
The IUPAC name of 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid (CID 11160410) is 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid?
The canonical SMILES for 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid is COC(=O)[C@@H]1C[C@H]1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid?
The InChIKey is AUGUVXXCNMLZFK-YRZWDFBDSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-8(12)5-2-4(5)3-6(9)7(10)11/h4-6H,2-3,9H2,1H3,(H,10,11)/t4-,5+,6?/m0/s1.
What are the key properties of 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid?
2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(1S,2R)-2-methoxycarbonylcyclopropyl]propanoic acid is sourced from PubChem (CID 11160410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).