(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid

C11H16N4O5 — CID 14484598

IUPAC(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N[C@@H](Cn1cccn1)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N4O5/c12-7(10(17)18)2-3-9(16)14-8(11(19)20)6-15-5-1-4-13-15/h1,4-5,7-8H,2-3,6,12H2,(H,14,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1
InChIKeyDEKQQSLPRUYOAG-YUMQZZPRSA-N
MW284.27 g/mol
LogP-1.36
Rot. Bonds8

About (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid (PubChem CID 14484598) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid
PubChem CID14484598
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)N[C@@H](Cn1cccn1)C(=O)O)C(=O)O
InChIInChI=1S/C11H16N4O5/c12-7(10(17)18)2-3-9(16)14-8(11(19)20)6-15-5-1-4-13-15/h1,4-5,7-8H,2-3,6,12H2,(H,14,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1
InChIKeyDEKQQSLPRUYOAG-YUMQZZPRSA-N
XLogP-1.36
TPSA147.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid (CID 14484598) is (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid is N[C@@H](CCC(=O)N[C@@H](Cn1cccn1)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid?
The InChIKey is DEKQQSLPRUYOAG-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H16N4O5/c12-7(10(17)18)2-3-9(16)14-8(11(19)20)6-15-5-1-4-13-15/h1,4-5,7-8H,2-3,6,12H2,(H,14,16)(H,17,18)(H,19,20)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid has a molecular weight of 284.27 g/mol, XLogP of -1.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(1S)-1-carboxy-2-pyrazol-1-ylethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 14484598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).