2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

C16H24N4O3 — CID 59900507

IUPAC2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2CC2CC2)c(=O)n1CC(=O)O
InChIInChI=1S/C16H24N4O3/c1-11-7-17-15(16(23)20(11)10-14(21)22)18-8-13-3-2-6-19(13)9-12-4-5-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,18)(H,21,22)/t13-/m1/s1
InChIKeyLXKTZYORFIXOBV-CYBMUJFWSA-N
MW320.39 g/mol
LogP0.92
Rot. Bonds7

About 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid

2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (PubChem CID 59900507) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
PubChem CID59900507
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCc1cnc(NC[C@H]2CCCN2CC2CC2)c(=O)n1CC(=O)O
InChIInChI=1S/C16H24N4O3/c1-11-7-17-15(16(23)20(11)10-14(21)22)18-8-13-3-2-6-19(13)9-12-4-5-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,18)(H,21,22)/t13-/m1/s1
InChIKeyLXKTZYORFIXOBV-CYBMUJFWSA-N
XLogP0.92
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid (CID 59900507) is 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is Cc1cnc(NC[C@H]2CCCN2CC2CC2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is LXKTZYORFIXOBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11-7-17-15(16(23)20(11)10-14(21)22)18-8-13-3-2-6-19(13)9-12-4-5-12/h7,12-13H,2-6,8-10H2,1H3,(H,17,18)(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid?
2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 320.39 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methylamino]-6-methyl-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 59900507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).