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

C12H18N2O7 — CID 69489250

IUPAC1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@H](CCC(=O)N1CC(C(=O)O)CC1C(=O)O)CC(=O)O
InChIInChI=1S/C12H18N2O7/c13-7(4-10(16)17)1-2-9(15)14-5-6(11(18)19)3-8(14)12(20)21/h6-8H,1-5,13H2,(H,16,17)(H,18,19)(H,20,21)/t6?,7-,8?/m1/s1
InChIKeyJIGYZLGGUDDHIM-ZUEIMRROSA-N
MW302.28 g/mol
LogP-1.05
Rot. Bonds7

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

1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid (PubChem CID 69489250) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid
PubChem CID69489250
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid
SMILESN[C@H](CCC(=O)N1CC(C(=O)O)CC1C(=O)O)CC(=O)O
InChIInChI=1S/C12H18N2O7/c13-7(4-10(16)17)1-2-9(15)14-5-6(11(18)19)3-8(14)12(20)21/h6-8H,1-5,13H2,(H,16,17)(H,18,19)(H,20,21)/t6?,7-,8?/m1/s1
InChIKeyJIGYZLGGUDDHIM-ZUEIMRROSA-N
XLogP-1.05
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 ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S,4R)-1-[(4S)-4-amino-4-carboxybutanoyl]-4-methylpyrrolidine-2-carboxylic acid
CID 118245943
(2R,4R)-1-(2-acetamidoacetyl)pyrrolidine-2,4-dicarboxylic acid
CID 69133986
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
(2S,4S)-1-[4-(2-aminoethyl)-5,5-dimethylhexanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714779
(2S,4S)-1-(4-amino-3-methoxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 103156006
(2S,4R)-1-(2-amino-4-carboxybutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64890910
(2S,4R)-4-hydroxy-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 30053802
4-amino-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 143148082
1-[(4S)-4-amino-4-carboxybutanoyl]-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 118243652
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2R,4R)-1-(4-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81079737

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid (CID 69489250) is 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid is N[C@H](CCC(=O)N1CC(C(=O)O)CC1C(=O)O)CC(=O)O.
What is the InChIKey of 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is JIGYZLGGUDDHIM-ZUEIMRROSA-N. The full InChI is InChI=1S/C12H18N2O7/c13-7(4-10(16)17)1-2-9(15)14-5-6(11(18)19)3-8(14)12(20)21/h6-8H,1-5,13H2,(H,16,17)(H,18,19)(H,20,21)/t6?,7-,8?/m1/s1.
What are the key properties of 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid?
1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 302.28 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-amino-5-carboxypentanoyl]pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 69489250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).