(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid

C10H15NO4 — CID 164643865

IUPAC(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1CN(CC2CC2)C[C@H]1C(=O)O
InChIInChI=1S/C10H15NO4/c12-9(13)7-4-11(3-6-1-2-6)5-8(7)10(14)15/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyMBFYVFFMIJTHGM-HTQZYQBOSA-N
MW213.23 g/mol
LogP0.11
Rot. Bonds4

About (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid

(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid (PubChem CID 164643865) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
PubChem CID164643865
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
SMILESO=C(O)[C@@H]1CN(CC2CC2)C[C@H]1C(=O)O
InChIInChI=1S/C10H15NO4/c12-9(13)7-4-11(3-6-1-2-6)5-8(7)10(14)15/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1
InChIKeyMBFYVFFMIJTHGM-HTQZYQBOSA-N
XLogP0.11
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 65459238
4-amino-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 134209367
(3S,4S)-1-(cyclooctylmethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114207962
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
(3S,4S)-1-(cyclopentylmethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954258
5-methyl-1-[(4-methylcyclohexyl)methyl]piperidine-3-carboxylic acid
CID 122125296
2-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 55146326
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
4-pentyl-1-(piperidin-4-ylmethyl)pyrrolidine-3-carboxylic acid
CID 123461847
1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
(3S,5S)-1-(cyclopropylmethyl)-3,5-dimethylpiperidine
CID 134195604
4-(cyclopropylmethyl)morpholine-2-carboxylic acid;hydrochloride
CID 53393294

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid?
The IUPAC name of (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid (CID 164643865) is (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid.
What is the SMILES notation for (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid?
The canonical SMILES for (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid is O=C(O)[C@@H]1CN(CC2CC2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid?
The InChIKey is MBFYVFFMIJTHGM-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(13)7-4-11(3-6-1-2-6)5-8(7)10(14)15/h6-8H,1-5H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1.
What are the key properties of (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid?
(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid is sourced from PubChem (CID 164643865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).