(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid

C12H18N2O7 — CID 11623609

IUPAC(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCCC(=O)O)C1
InChIInChI=1S/C12H18N2O7/c13-12(11(20)21)5-7(10(18)19)14(6-12)8(15)3-1-2-4-9(16)17/h7H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,12-/m1/s1
InChIKeyFTEZFEQPCGPOAW-JMCQJSRRSA-N
MW302.28 g/mol
LogP-0.90
Rot. Bonds7

About (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid

(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid (PubChem CID 11623609) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
PubChem CID11623609
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCCC(=O)O)C1
InChIInChI=1S/C12H18N2O7/c13-12(11(20)21)5-7(10(18)19)14(6-12)8(15)3-1-2-4-9(16)17/h7H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,12-/m1/s1
InChIKeyFTEZFEQPCGPOAW-JMCQJSRRSA-N
XLogP-0.90
TPSA158.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,4S)-4-amino-1-(4-carboxybutanoyl)pyrrolidine-2,4-dicarboxylic acid
CID 11550997
(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
(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
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(2S)-1-(7-aminoheptanoyl)pyrrolidine-2-carboxylic acid
CID 78967695

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid (CID 11623609) is (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid is N[C@]1(C(=O)O)C[C@H](C(=O)O)N(C(=O)CCCCC(=O)O)C1.
What is the InChIKey of (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is FTEZFEQPCGPOAW-JMCQJSRRSA-N. The full InChI is InChI=1S/C12H18N2O7/c13-12(11(20)21)5-7(10(18)19)14(6-12)8(15)3-1-2-4-9(16)17/h7H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)/t7-,12-/m1/s1.
What are the key properties of (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid?
(2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 302.28 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-1-(5-carboxypentanoyl)pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 11623609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).