4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid

C16H18N4O3 — CID 120546825

IUPAC4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESNc1nccnc1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c17-15-14(18-8-9-19-15)16(23)20-12(6-7-13(21)22)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,17,19)(H,20,23)(H,21,22)
InChIKeyOSVUTEMDNZAZQG-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.26
Rot. Bonds7

About 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid

4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid (PubChem CID 120546825) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
PubChem CID120546825
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid
SMILESNc1nccnc1C(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C16H18N4O3/c17-15-14(18-8-9-19-15)16(23)20-12(6-7-13(21)22)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,17,19)(H,20,23)(H,21,22)
InChIKeyOSVUTEMDNZAZQG-UHFFFAOYSA-N
XLogP1.26
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-acetylbenzoyl)amino]-5-phenylpentanoic acid
CID 120546799
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
5-phenyl-4-[(2-phenylacetyl)amino]pentanoic acid
CID 120547336
5-phenyl-4-(propanoylamino)pentanoic acid
CID 120547072
4-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547288
5-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]amino]pentanoic acid
CID 120547172
4-(1,3-dihydroxypropan-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122028316
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
CID 120547139
4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122028214
4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120546823
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
CID 16579660
4-[(2,3-dimethylbenzoyl)amino]-5-phenylpentanoic acid
CID 120547076

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid (CID 120546825) is 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid is Nc1nccnc1C(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid?
The InChIKey is OSVUTEMDNZAZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c17-15-14(18-8-9-19-15)16(23)20-12(6-7-13(21)22)10-11-4-2-1-3-5-11/h1-5,8-9,12H,6-7,10H2,(H2,17,19)(H,20,23)(H,21,22).
What are the key properties of 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid?
4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid has a molecular weight of 314.35 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopyrazine-2-carbonyl)amino]-5-phenylpentanoic acid is sourced from PubChem (CID 120546825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).