(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride

C14H21ClN4O4 — CID 154913757

IUPAC(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CN[C@H](C(=O)O)C2)nc(=O)[nH]1.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-7(2)3-8-4-10(18-14(22)17-8)12(19)16-9-5-11(13(20)21)15-6-9;/h4,7,9,11,15H,3,5-6H2,1-2H3,(H,16,19)(H,20,21)(H,17,18,22);1H/t9-,11-;/m0./s1
InChIKeyZDXLGHZHGSHWHY-ROLPUNSJSA-N
MW344.80 g/mol
LogP-0.06
Rot. Bonds5

About (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride

(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 154913757) has the molecular formula C14H21ClN4O4 and a molecular weight of 344.80 g/mol. Its IUPAC name is (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID154913757
Molecular FormulaC14H21ClN4O4
Molecular Weight344.80 g/mol
Exact Mass344.13
IUPAC Name(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC(C)Cc1cc(C(=O)N[C@@H]2CN[C@H](C(=O)O)C2)nc(=O)[nH]1.Cl
InChIInChI=1S/C14H20N4O4.ClH/c1-7(2)3-8-4-10(18-14(22)17-8)12(19)16-9-5-11(13(20)21)15-6-9;/h4,7,9,11,15H,3,5-6H2,1-2H3,(H,16,19)(H,20,21)(H,17,18,22);1H/t9-,11-;/m0./s1
InChIKeyZDXLGHZHGSHWHY-ROLPUNSJSA-N
XLogP-0.06
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(6-isobutyl-2-oxo-1,2-dihydropyrimidin-4-yl)carbonyl]pyrrolidine-2-carboxylic acid
CID 131938788
(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 132426507

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride (CID 154913757) is (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride is CC(C)Cc1cc(C(=O)N[C@@H]2CN[C@H](C(=O)O)C2)nc(=O)[nH]1.Cl.
What is the InChIKey of (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is ZDXLGHZHGSHWHY-ROLPUNSJSA-N. The full InChI is InChI=1S/C14H20N4O4.ClH/c1-7(2)3-8-4-10(18-14(22)17-8)12(19)16-9-5-11(13(20)21)15-6-9;/h4,7,9,11,15H,3,5-6H2,1-2H3,(H,16,19)(H,20,21)(H,17,18,22);1H/t9-,11-;/m0./s1.
What are the key properties of (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 344.80 g/mol, XLogP of -0.06, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-[[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]amino]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 154913757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).