2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid

C12H16N4O3 — CID 64701805

IUPAC2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ncccn2)CCCC1
InChIInChI=1S/C12H16N4O3/c17-9(18)8-12(4-1-2-5-12)16-11(19)15-10-13-6-3-7-14-10/h3,6-7H,1-2,4-5,8H2,(H,17,18)(H2,13,14,15,16,19)
InChIKeyAHMVYMQTRHQKMQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701805) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701805
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Nc2ncccn2)CCCC1
InChIInChI=1S/C12H16N4O3/c17-9(18)8-12(4-1-2-5-12)16-11(19)15-10-13-6-3-7-14-10/h3,6-7H,1-2,4-5,8H2,(H,17,18)(H2,13,14,15,16,19)
InChIKeyAHMVYMQTRHQKMQ-UHFFFAOYSA-N
XLogP1.39
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210
2-[1-[(4-bromophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64702006
2-[1-[(4-chlorophenyl)carbamoylamino]cyclohexyl]acetic acid
CID 64672747
2-[1-(thiophen-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 66355460
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclopentyl]acetic acid
CID 64672788
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexyl]acetic acid
CID 64670572
2-[1-[(2-bromo-3-chlorophenyl)carbamoylamino]cyclopentyl]acetic acid
CID 103480776
2-[1-[(2-pyridin-4-ylacetyl)amino]cyclohexyl]acetic acid
CID 64672336

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid (CID 64701805) is 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Nc2ncccn2)CCCC1.
What is the InChIKey of 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is AHMVYMQTRHQKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-9(18)8-12(4-1-2-5-12)16-11(19)15-10-13-6-3-7-14-10/h3,6-7H,1-2,4-5,8H2,(H,17,18)(H2,13,14,15,16,19).
What are the key properties of 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 264.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrimidin-2-ylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).