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

C9H15NO4 — CID 15382774

IUPAC(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
SMILESCCC[C@H]1[C@@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-4-5(6(4)8(11)12)7(10)9(13)14/h4-7H,2-3,10H2,1H3,(H,11,12)(H,13,14)/t4-,5-,6-,7+/m1/s1
InChIKeyIBCQINGKVAANIL-GBNDHIKLSA-N
MW201.22 g/mol
LogP0.15
Rot. Bonds5

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

(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid (PubChem CID 15382774) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
PubChem CID15382774
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid
SMILESCCC[C@H]1[C@@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O
InChIInChI=1S/C9H15NO4/c1-2-3-4-5(6(4)8(11)12)7(10)9(13)14/h4-7H,2-3,10H2,1H3,(H,11,12)(H,13,14)/t4-,5-,6-,7+/m1/s1
InChIKeyIBCQINGKVAANIL-GBNDHIKLSA-N
XLogP0.15
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(2-fluoroethyl)cyclopropane-1-carboxylic acid
CID 59925065
2-[amino(carboxy)methyl]-3-(2-carboxyethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 70169674
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-prop-2-enylcyclopropane-1-carboxylic acid
CID 70003963
trans-(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid
CID 5310979
2-[amino(carboxy)methyl]-3-[2-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 70168229
2-[amino(carboxy)methyl]-3-(2-benzylsulfanylethyl)cyclopropane-1-carboxylic acid
CID 70170296
(1R,2S,3R)-2-[(S)-amino(carboxy)methyl]-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 58719615
(1S,2S,3S)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid;(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 160770564
2-[(S)-amino(carboxy)methyl]-3-cyanocyclopropane-1-carboxylic acid
CID 70013860
(1R,2R,3R)-2-[(R)-amino(carboxy)methyl]-3-phenylcyclopropane-1-carboxylic acid
CID 10681240
2-[(S)-amino(carboxy)methyl]-3-methylcyclopropane-1-carboxylic acid;1-ethyl-3-phenylurea
CID 142099309
3-amino-2-propylcyclobutane-1-carboxylic acid
CID 123989356

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid (CID 15382774) is (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid is CCC[C@H]1[C@@H](C(=O)O)[C@@H]1[C@H](N)C(=O)O.
What is the InChIKey of (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid?
The InChIKey is IBCQINGKVAANIL-GBNDHIKLSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-4-5(6(4)8(11)12)7(10)9(13)14/h4-7H,2-3,10H2,1H3,(H,11,12)(H,13,14)/t4-,5-,6-,7+/m1/s1.
What are the key properties of (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid?
(1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-[(S)-amino(carboxy)methyl]-3-propylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 15382774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).