(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid

C9H14N6O5 — CID 107828539

IUPAC(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)Nc1nnn(C)n1)C(=O)O
InChIInChI=1S/C9H14N6O5/c1-15-13-8(12-14-15)11-9(19)10-5(7(17)18)3-4-6(16)20-2/h5H,3-4H2,1-2H3,(H,17,18)(H2,10,11,13,19)/t5-/m0/s1
InChIKeyARHPHKWFMYCZRM-YFKPBYRVSA-N
MW286.25 g/mol
LogP-1.26
Rot. Bonds6

About (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107828539) has the molecular formula C9H14N6O5 and a molecular weight of 286.25 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107828539
Molecular FormulaC9H14N6O5
Molecular Weight286.25 g/mol
Exact Mass286.10
IUPAC Name(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)Nc1nnn(C)n1)C(=O)O
InChIInChI=1S/C9H14N6O5/c1-15-13-8(12-14-15)11-9(19)10-5(7(17)18)3-4-6(16)20-2/h5H,3-4H2,1-2H3,(H,17,18)(H2,10,11,13,19)/t5-/m0/s1
InChIKeyARHPHKWFMYCZRM-YFKPBYRVSA-N
XLogP-1.26
TPSA148.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
(2S)-5-methoxy-5-oxo-2-(thiatriazol-5-ylcarbamoylamino)pentanoic acid
CID 107829375
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
(2R)-5-methoxy-5-oxo-2-[1-(2H-tetrazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107827245
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 107829369
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107265688
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828756
(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107825786
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid (CID 107828539) is (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)Nc1nnn(C)n1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is ARHPHKWFMYCZRM-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H14N6O5/c1-15-13-8(12-14-15)11-9(19)10-5(7(17)18)3-4-6(16)20-2/h5H,3-4H2,1-2H3,(H,17,18)(H2,10,11,13,19)/t5-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 286.25 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107828539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).