(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid

C11H12BrN3O4 — CID 62959310

IUPAC(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H12BrN3O4/c12-6-1-2-7(14-5-6)10(17)15-8(11(18)19)3-4-9(13)16/h1-2,5,8H,3-4H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyKSBZAIOSLSLAOS-QMMMGPOBSA-N
MW330.14 g/mol
LogP0.29
Rot. Bonds6

About (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 62959310) has the molecular formula C11H12BrN3O4 and a molecular weight of 330.14 g/mol. Its IUPAC name is (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
PubChem CID62959310
Molecular FormulaC11H12BrN3O4
Molecular Weight330.14 g/mol
Exact Mass329.00
IUPAC Name(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1ccc(Br)cn1)C(=O)O
InChIInChI=1S/C11H12BrN3O4/c12-6-1-2-7(14-5-6)10(17)15-8(11(18)19)3-4-9(13)16/h1-2,5,8H,3-4H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1
InChIKeyKSBZAIOSLSLAOS-QMMMGPOBSA-N
XLogP0.29
TPSA122.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.14
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-4-hydroxybutanoic acid
CID 94903176
(2R)-2-[(5-bromopyridine-2-carbonyl)amino]pentanoic acid
CID 107562920
2-[(5-bromopyridine-2-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 62960210
(2R)-5-amino-2-[(6-chloropyridazine-3-carbonyl)amino]-5-oxopentanoic acid
CID 114037303
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 62958073
2-[(5-bromopyridine-2-carbonyl)amino]-3-pyridin-4-ylpropanoic acid
CID 166373485
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
methyl 2-[(5-bromopyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 62959389
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649
5-amino-2-[(4-chlorobenzoyl)amino]-5-oxopentanoic acid
CID 3735034
(2S)-2-[(5-bromopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 55154383
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid (CID 62959310) is (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1ccc(Br)cn1)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is KSBZAIOSLSLAOS-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12BrN3O4/c12-6-1-2-7(14-5-6)10(17)15-8(11(18)19)3-4-9(13)16/h1-2,5,8H,3-4H2,(H2,13,16)(H,15,17)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 330.14 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 62959310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).