(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid

C11H16N2O7 — CID 11550997

IUPAC(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H16N2O7/c12-11(10(19)20)4-6(9(17)18)13(5-11)7(14)2-1-3-8(15)16/h6H,1-5,12H2,(H,15,16)(H,17,18)(H,19,20)/t6-,11+/m1/s1
InChIKeyXJZIJZKKGGBDOH-KBUNVGBDSA-N
MW288.26 g/mol
LogP-1.29
Rot. Bonds6

About (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid

(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 11550997) has the molecular formula C11H16N2O7 and a molecular weight of 288.26 g/mol. Its IUPAC name is (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID11550997
Molecular FormulaC11H16N2O7
Molecular Weight288.26 g/mol
Exact Mass288.10
IUPAC Name(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCC(=O)O)C1
InChIInChI=1S/C11H16N2O7/c12-11(10(19)20)4-6(9(17)18)13(5-11)7(14)2-1-3-8(15)16/h6H,1-5,12H2,(H,15,16)(H,17,18)(H,19,20)/t6-,11+/m1/s1
InChIKeyXJZIJZKKGGBDOH-KBUNVGBDSA-N
XLogP-1.29
TPSA158.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11623609
(2S)-4-amino-1-(2-carboxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 59652934
(2R,4R)-4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 11499735
4-amino-1-(2-methoxyacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 23102672
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
CID 11644213
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
4-amino-1-propylpyrrolidine-2,4-dicarboxylic acid
CID 22369546
4-amino-1-[carboxy(propyl)carbamothioyl]pyrrolidine-2,4-dicarboxylic acid
CID 90993334
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(3R,5S)-3-amino-5-iodo-1-oxalopyrrolidine-3-carboxylic acid
CID 70327866
4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
CID 22369490
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid (CID 11550997) is (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid is N[C@@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCC(=O)O)C1.
What is the InChIKey of (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is XJZIJZKKGGBDOH-KBUNVGBDSA-N. The full InChI is InChI=1S/C11H16N2O7/c12-11(10(19)20)4-6(9(17)18)13(5-11)7(14)2-1-3-8(15)16/h6H,1-5,12H2,(H,15,16)(H,17,18)(H,19,20)/t6-,11+/m1/s1.
What are the key properties of (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid?
(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -1.29, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 11550997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).