(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid

C10H12N4O5 — CID 61185937

IUPAC(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C10H12N4O5/c15-7(16)3-2-6(8(17)18)13-10(19)14-9-11-4-1-5-12-9/h1,4-6H,2-3H2,(H,15,16)(H,17,18)(H2,11,12,13,14,19)/t6-/m0/s1
InChIKeyQYICQOYPKORIEI-LURJTMIESA-N
MW268.23 g/mol
LogP-0.08
Rot. Bonds6

About (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid

(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid (PubChem CID 61185937) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
PubChem CID61185937
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C10H12N4O5/c15-7(16)3-2-6(8(17)18)13-10(19)14-9-11-4-1-5-12-9/h1,4-6H,2-3H2,(H,15,16)(H,17,18)(H2,11,12,13,14,19)/t6-/m0/s1
InChIKeyQYICQOYPKORIEI-LURJTMIESA-N
XLogP-0.08
TPSA141.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-4-amino-4-oxo-2-(pyrimidin-2-ylcarbamoylamino)butanoic acid
CID 63714897
5-amino-5-oxo-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388732
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
4-amino-5-oxo-5-(pyrimidin-2-ylamino)pentanoic acid
CID 64895405
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
2-(1,3,4-thiadiazol-2-ylcarbamoylamino)pentanedioic acid
CID 61193061
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405
2-[(2-methylsulfanylphenyl)carbamoylamino]pentanedioic acid
CID 107642342
(2S)-2-[(3-bromophenyl)carbamoylamino]pentanedioic acid
CID 61190320
(2S)-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]pentanedioic acid
CID 61151882
(2S)-2-[2-(1H-imidazol-2-yl)ethylcarbamoylamino]pentanedioic acid
CID 104871763
2-[(3,4-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61185609

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid (CID 61185937) is (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)Nc1ncccn1)C(=O)O.
What is the InChIKey of (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid?
The InChIKey is QYICQOYPKORIEI-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N4O5/c15-7(16)3-2-6(8(17)18)13-10(19)14-9-11-4-1-5-12-9/h1,4-6H,2-3H2,(H,15,16)(H,17,18)(H2,11,12,13,14,19)/t6-/m0/s1.
What are the key properties of (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid?
(2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid has a molecular weight of 268.23 g/mol, XLogP of -0.08, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrimidin-2-ylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 61185937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).