(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid

C14H17ClN4O4 — CID 125152988

IUPAC(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C14H17ClN4O4/c15-9-7-16-14(18-3-1-2-4-18)17-11(9)12(20)19-5-6-23-8-10(19)13(21)22/h7,10H,1-6,8H2,(H,21,22)/t10-/m1/s1
InChIKeyROWRCIBNSAEGPR-SNVBAGLBSA-N
MW340.77 g/mol
LogP0.66
Rot. Bonds3

About (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid

(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid (PubChem CID 125152988) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
PubChem CID125152988
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid
SMILESO=C(O)[C@H]1COCCN1C(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C14H17ClN4O4/c15-9-7-16-14(18-3-1-2-4-18)17-11(9)12(20)19-5-6-23-8-10(19)13(21)22/h7,10H,1-6,8H2,(H,21,22)/t10-/m1/s1
InChIKeyROWRCIBNSAEGPR-SNVBAGLBSA-N
XLogP0.66
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-1-yl)-5-chloropyrimidine-4-carboxylic acid
CID 84679906
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-[(2S)-2-phenylazetidin-1-yl]methanone
CID 94468049
2-[(2S)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholin-2-yl]acetic acid
CID 125153278
4-(4-chloropyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 114036870
2-(5-chloro-2-morpholin-4-ylpyrimidine-4-carbonyl)-2-azaspiro[4.4]nonane-4-carboxylic acid
CID 167817741
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125133089
(3S)-4-[2-(2-chlorophenyl)-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125153686
1-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55777834
1-(5-chloro-2-piperidin-1-ylpyrimidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 56797170
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(3R)-4-[2-(2,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]morpholine-3-carboxylic acid
CID 125119411
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid (CID 125152988) is (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid is O=C(O)[C@H]1COCCN1C(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is ROWRCIBNSAEGPR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4O4/c15-9-7-16-14(18-3-1-2-4-18)17-11(9)12(20)19-5-6-23-8-10(19)13(21)22/h7,10H,1-6,8H2,(H,21,22)/t10-/m1/s1.
What are the key properties of (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid?
(3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 125152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).