2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid

C14H22N4O3 — CID 163868392

IUPAC2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid
SMILESCC(C)(C)NC(CCCNC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C14H22N4O3/c1-14(2,3)18-10(13(20)21)5-4-6-17-12(19)11-9-15-7-8-16-11/h7-10,18H,4-6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyPIQZWOJFMRXMKQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.83
Rot. Bonds7

About 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid

2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid (PubChem CID 163868392) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid
PubChem CID163868392
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid
SMILESCC(C)(C)NC(CCCNC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C14H22N4O3/c1-14(2,3)18-10(13(20)21)5-4-6-17-12(19)11-9-15-7-8-16-11/h7-10,18H,4-6H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyPIQZWOJFMRXMKQ-UHFFFAOYSA-N
XLogP0.83
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
CID 67328816
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-(2,2-dimethylpropyl)pyrazine-2-carboxamide
CID 21060489
ditert-butyl (2S)-2-[[(2S)-6-[[(2S)-2-amino-5-(pyrazine-2-carbonylamino)pentanoyl]amino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]carbamoylamino]pentanedioate
CID 155588252
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyrazine-2-carbonylamino)propanoic acid
CID 53362907
tert-butyl N-[2-oxo-2-[3-(pyrazine-2-carbonylamino)propylamino]ethyl]carbamate
CID 108918789
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid?
The IUPAC name of 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid (CID 163868392) is 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid is CC(C)(C)NC(CCCNC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid?
The InChIKey is PIQZWOJFMRXMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-14(2,3)18-10(13(20)21)5-4-6-17-12(19)11-9-15-7-8-16-11/h7-10,18H,4-6H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid?
2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 163868392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).