(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid

C10H14N4O5 — CID 54982086

IUPAC(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H14N4O5/c15-8(16)2-1-7(9(17)18)14-10(19)11-3-6-4-12-13-5-6/h4-5,7H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H2,11,14,19)/t7-/m0/s1
InChIKeyVPMVYQZJWQVIGJ-ZETCQYMHSA-N
MW270.24 g/mol
LogP-0.47
Rot. Bonds7

About (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid

(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid (PubChem CID 54982086) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid
PubChem CID54982086
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H14N4O5/c15-8(16)2-1-7(9(17)18)14-10(19)11-3-6-4-12-13-5-6/h4-5,7H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H2,11,14,19)/t7-/m0/s1
InChIKeyVPMVYQZJWQVIGJ-ZETCQYMHSA-N
XLogP-0.47
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid (CID 54982086) is (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O.
What is the InChIKey of (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid?
The InChIKey is VPMVYQZJWQVIGJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-8(16)2-1-7(9(17)18)14-10(19)11-3-6-4-12-13-5-6/h4-5,7H,1-3H2,(H,12,13)(H,15,16)(H,17,18)(H2,11,14,19)/t7-/m0/s1.
What are the key properties of (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid?
(2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid has a molecular weight of 270.24 g/mol, XLogP of -0.47, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanedioic acid is sourced from PubChem (CID 54982086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).