(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid

C17H26N4O3 — CID 86283663

IUPAC(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-2-3-14-11-20(12-15(14)16(22)23)10-13-8-18-17(19-9-13)21-4-6-24-7-5-21/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyPSACFJMVBDXINQ-HUUCEWRRSA-N
MW334.42 g/mol
LogP1.25
Rot. Bonds6

About (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid

(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid (PubChem CID 86283663) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
PubChem CID86283663
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid
SMILESCCC[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-2-3-14-11-20(12-15(14)16(22)23)10-13-8-18-17(19-9-13)21-4-6-24-7-5-21/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,23)/t14-,15-/m1/s1
InChIKeyPSACFJMVBDXINQ-HUUCEWRRSA-N
XLogP1.25
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S*,4S*)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 70714520
(3S*,4S*)-4-isopropyl-1-{[2-(methoxymethyl)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72866859
(3S,4S)-1-[(2-cyclohexylpyrimidin-5-yl)methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72910725
(3S*,4S*)-4-cyclopropyl-1-{[2-(ethylamino)-5-pyrimidinyl]methyl}-3-pyrrolidinecarboxylic acid
CID 72931863
(3S,4S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 86283799
[2-(5-Methylpyrimidin-2-yl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-morpholin-4-ylmethanone
CID 118739019
(3aS,8aR)-2-(5-methylpyrimidin-2-yl)-5-(oxolan-3-yl)-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 127022967
(4S)-8-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97204992
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
(3S*,4S*)-1-[5-fluoro-4-(4-morpholinyl)-2-pyrimidinyl]-4-propyl-3-pyrrolidinecarboxylic acid
CID 72891352
N,N-dimethyl-8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155840370
1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 156603968

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid (CID 86283663) is (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid is CCC[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)C[C@H]1C(=O)O.
What is the InChIKey of (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
The InChIKey is PSACFJMVBDXINQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-3-14-11-20(12-15(14)16(22)23)10-13-8-18-17(19-9-13)21-4-6-24-7-5-21/h8-9,14-15H,2-7,10-12H2,1H3,(H,22,23)/t14-,15-/m1/s1.
What are the key properties of (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid?
(3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-4-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 86283663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).