(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid

C10H15N5O4 — CID 54982088

IUPAC(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)2-1-7(9(17)18)15-10(19)12-3-6-4-13-14-5-6/h4-5,7H,1-3H2,(H2,11,16)(H,13,14)(H,17,18)(H2,12,15,19)/t7-/m0/s1
InChIKeyNZMDQYSTLIVDOW-ZETCQYMHSA-N
MW269.26 g/mol
LogP-1.07
Rot. Bonds7

About (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid

(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid (PubChem CID 54982088) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
PubChem CID54982088
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O
InChIInChI=1S/C10H15N5O4/c11-8(16)2-1-7(9(17)18)15-10(19)12-3-6-4-13-14-5-6/h4-5,7H,1-3H2,(H2,11,16)(H,13,14)(H,17,18)(H2,12,15,19)/t7-/m0/s1
InChIKeyNZMDQYSTLIVDOW-ZETCQYMHSA-N
XLogP-1.07
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid (CID 54982088) is (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid is NC(=O)CC[C@H](NC(=O)NCc1cn[nH]c1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid?
The InChIKey is NZMDQYSTLIVDOW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8(16)2-1-7(9(17)18)15-10(19)12-3-6-4-13-14-5-6/h4-5,7H,1-3H2,(H2,11,16)(H,13,14)(H,17,18)(H2,12,15,19)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid?
(2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid has a molecular weight of 269.26 g/mol, XLogP of -1.07, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-(1H-pyrazol-4-ylmethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 54982088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).