(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

C10H14N4O3 — CID 136689836

IUPAC(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2N)C[C@H]1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-5-2-14(3-6(5)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)/t5-,6-/m1/s1
InChIKeyOUCJNXDBTIMUFL-PHDIDXHHSA-N
MW238.25 g/mol
LogP-0.49
Rot. Bonds2

About (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid

(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 136689836) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID136689836
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESC[C@@H]1CN(c2nc[nH]c(=O)c2N)C[C@H]1C(=O)O
InChIInChI=1S/C10H14N4O3/c1-5-2-14(3-6(5)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)/t5-,6-/m1/s1
InChIKeyOUCJNXDBTIMUFL-PHDIDXHHSA-N
XLogP-0.49
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 136958911
(3S,4S)-4-methyl-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689837
3-amino-1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689857
3-amino-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689861
3-amino-1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689862
3-amino-1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689863
3-amino-1-(5-iodo-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136689865
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
CID 136958395
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958655
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]butanoic acid
CID 136958811
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-2-methylpropanoic acid
CID 136958818
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136958827

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 136689836) is (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is C[C@@H]1CN(c2nc[nH]c(=O)c2N)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is OUCJNXDBTIMUFL-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-5-2-14(3-6(5)10(16)17)8-7(11)9(15)13-4-12-8/h4-6H,2-3,11H2,1H3,(H,16,17)(H,12,13,15)/t5-,6-/m1/s1.
What are the key properties of (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(5-amino-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 136689836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).