(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid

C10H17N3O3 — CID 154462534

IUPAC(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)O)C1
InChIInChI=1S/C10H17N3O3/c11-7-5-8(13(6-7)10(15)16)9(14)12-3-1-2-4-12/h7-8H,1-6,11H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyJSFHCPPHDPBUAA-YUMQZZPRSA-N
MW227.26 g/mol
LogP-0.31
Rot. Bonds1

About (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid

(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 154462534) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID154462534
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid
SMILESN[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)O)C1
InChIInChI=1S/C10H17N3O3/c11-7-5-8(13(6-7)10(15)16)9(14)12-3-1-2-4-12/h7-8H,1-6,11H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyJSFHCPPHDPBUAA-YUMQZZPRSA-N
XLogP-0.31
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-(pyrrolidine-1-carbonyl)pyrrolidine-1,2-dicarboxylic acid
CID 153347204
(3S)-3-aminoazepane-1-carboxylic acid
CID 67077828
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
tert-butyl (2R,5S)-5-amino-2-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
CID 145444299
(2S,4S)-4-amino-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138731797
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
[2-(pyrrolidine-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 109131791
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
2-aminoaziridine-1-carboxylic acid
CID 154148433
(2S,4R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-[(3-fluorophenyl)methyl]pyrrolidine-1-carboxylic acid
CID 68999698
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid (CID 154462534) is (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid is N[C@H]1C[C@@H](C(=O)N2CCCC2)N(C(=O)O)C1.
What is the InChIKey of (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is JSFHCPPHDPBUAA-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17N3O3/c11-7-5-8(13(6-7)10(15)16)9(14)12-3-1-2-4-12/h7-8H,1-6,11H2,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid?
(2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 154462534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).