3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C12H18N4O3 — CID 136689858

IUPAC3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(N2CCC(N)(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-7(2)10-14-8(5-9(17)15-10)16-4-3-12(13,6-16)11(18)19/h5,7H,3-4,6,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyOXNWDWDPLMXHIC-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.11
Rot. Bonds3

About 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 136689858) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID136689858
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1nc(N2CCC(N)(C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C12H18N4O3/c1-7(2)10-14-8(5-9(17)15-10)16-4-3-12(13,6-16)11(18)19/h5,7H,3-4,6,13H2,1-2H3,(H,18,19)(H,14,15,17)
InChIKeyOXNWDWDPLMXHIC-UHFFFAOYSA-N
XLogP-0.11
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S)-4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689835
3-amino-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689857
3-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689859
3-amino-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689860
3-amino-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689864
(3S,4S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136954403
(3S,4S)-4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136954404
(3S,4S)-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136954405
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958829
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958830
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958831
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958833

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 136689858) is 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CC(C)c1nc(N2CCC(N)(C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OXNWDWDPLMXHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-7(2)10-14-8(5-9(17)15-10)16-4-3-12(13,6-16)11(18)19/h5,7H,3-4,6,13H2,1-2H3,(H,18,19)(H,14,15,17).
What are the key properties of 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136689858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).