(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid

C10H14N4O5 — CID 114007193

IUPAC(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H14N4O5/c15-8(16)3-1-2-7(9(17)18)14-10(19)13-6-4-11-12-5-6/h4-5,7H,1-3H2,(H,11,12)(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m1/s1
InChIKeyRWLZAUFFYZCLNX-SSDOTTSWSA-N
MW270.24 g/mol
LogP0.24
Rot. Bonds7

About (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid

(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid (PubChem CID 114007193) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
PubChem CID114007193
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)Nc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H14N4O5/c15-8(16)3-1-2-7(9(17)18)14-10(19)13-6-4-11-12-5-6/h4-5,7H,1-3H2,(H,11,12)(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m1/s1
InChIKeyRWLZAUFFYZCLNX-SSDOTTSWSA-N
XLogP0.24
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 ≤ 50.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)pentanoic acid
CID 61209823
(2R)-2-[(5-methyl-3-pyridinyl)carbamoylamino]hexanedioic acid
CID 107841591
(2R)-2-[(3-bromophenyl)carbamoylamino]hexanedioic acid
CID 107838137
2-methyl-3-(1H-pyrazol-4-ylcarbamoylamino)propanoic acid
CID 62671333
2-[(4-bromophenyl)carbamoylamino]octanedioic acid
CID 91541031
(2S)-6-amino-2-(1H-pyrazol-4-ylamino)hexanoic acid
CID 172756279
(2R)-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)hexanedioic acid
CID 107840195
1H-pyrazol-4-ylcarbamic acid
CID 66846919
1H-pyrazol-4-ylcarbamic acid
CID 66846920
(2S)-2-(pyrimidin-5-ylcarbamoylamino)hexanoic acid
CID 107589159
2-(1H-pyrazol-4-ylamino)butanoic acid
CID 115352398
(2S)-2-[(3,5-difluorophenyl)carbamoylamino]pentanedioic acid
CID 61189405

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid?
The IUPAC name of (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid (CID 114007193) is (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid.
What is the SMILES notation for (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid?
The canonical SMILES for (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)Nc1cn[nH]c1)C(=O)O.
What is the InChIKey of (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid?
The InChIKey is RWLZAUFFYZCLNX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O5/c15-8(16)3-1-2-7(9(17)18)14-10(19)13-6-4-11-12-5-6/h4-5,7H,1-3H2,(H,11,12)(H,15,16)(H,17,18)(H2,13,14,19)/t7-/m1/s1.
What are the key properties of (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid?
(2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid has a molecular weight of 270.24 g/mol, XLogP of 0.24, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-pyrazol-4-ylcarbamoylamino)hexanedioic acid is sourced from PubChem (CID 114007193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).