(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid

C16H25N3O2 — CID 130218282

IUPAC(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCC1=N[C@@H](C)C(C)=C2CC(CN3CCC[C@H]3C(=O)O)CN12
InChIInChI=1S/C16H25N3O2/c1-10-11(2)17-12(3)19-9-13(7-15(10)19)8-18-6-4-5-14(18)16(20)21/h11,13-14H,4-9H2,1-3H3,(H,20,21)/t11-,13?,14-/m0/s1
InChIKeyRLBARXMAJASKOS-UFPXDFCQSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds3

About (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid

(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 130218282) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID130218282
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESCC1=N[C@@H](C)C(C)=C2CC(CN3CCC[C@H]3C(=O)O)CN12
InChIInChI=1S/C16H25N3O2/c1-10-11(2)17-12(3)19-9-13(7-15(10)19)8-18-6-4-5-14(18)16(20)21/h11,13-14H,4-9H2,1-3H3,(H,20,21)/t11-,13?,14-/m0/s1
InChIKeyRLBARXMAJASKOS-UFPXDFCQSA-N
XLogP1.95
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

2-[methyl-[(1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl)methyl]amino]acetic acid
CID 130218244
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 61313231
CID 66737893
CID 66737893
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232
3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine;(2S)-1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 67803073
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441669

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid (CID 130218282) is (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid is CC1=N[C@@H](C)C(C)=C2CC(CN3CCC[C@H]3C(=O)O)CN12.
What is the InChIKey of (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is RLBARXMAJASKOS-UFPXDFCQSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-10-11(2)17-12(3)19-9-13(7-15(10)19)8-18-6-4-5-14(18)16(20)21/h11,13-14H,4-9H2,1-3H3,(H,20,21)/t11-,13?,14-/m0/s1.
What are the key properties of (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(3S)-1,3,4-trimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130218282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).