2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid

C11H15N3O4 — CID 122060521

IUPAC2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(C(=O)OC)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(9(15)16)14-11-12-5-7(6-13-11)10(17)18-2/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCYPCKHDMKVDUSN-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.93
Rot. Bonds6

About 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid

2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid (PubChem CID 122060521) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
PubChem CID122060521
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1ncc(C(=O)OC)cn1)C(=O)O
InChIInChI=1S/C11H15N3O4/c1-3-4-8(9(15)16)14-11-12-5-7(6-13-11)10(17)18-2/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyCYPCKHDMKVDUSN-UHFFFAOYSA-N
XLogP0.93
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
2-[(6-methoxycarbonylpyrazin-2-yl)amino]pentanoic acid
CID 66454589
2-[(6-methoxycarbonylpyridazin-3-yl)amino]pentanoic acid
CID 60790857
methyl 2-(methylamino)pyrimidine-5-carboxylate
CID 74890609
3-methoxy-2-[(5-methylpyrimidin-2-yl)amino]propanoic acid
CID 81078067
(2S)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]hexanoic acid
CID 122062838
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-[(4-carbamoyl-2-pyridinyl)amino]pentanoic acid
CID 43631313
(2S)-2-[(6-methoxycarbonylpyridazin-3-yl)amino]hexanoic acid
CID 122063002
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
(2S)-2-anilinopentanoic acid
CID 22847649

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid (CID 122060521) is 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1ncc(C(=O)OC)cn1)C(=O)O.
What is the InChIKey of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is CYPCKHDMKVDUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-4-8(9(15)16)14-11-12-5-7(6-13-11)10(17)18-2/h5-6,8H,3-4H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid?
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122060521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).