(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid

C9H15N3O5S — CID 107830169

IUPAC(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid
SMILESCCC(C#N)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H15N3O5S/c1-2-6(5-10)18(16,17)12-7(9(14)15)3-4-8(11)13/h6-7,12H,2-4H2,1H3,(H2,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyZYFFWPPGUAPWQA-COBSHVIPSA-N
MW277.30 g/mol
LogP-1.07
Rot. Bonds8

About (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid (PubChem CID 107830169) has the molecular formula C9H15N3O5S and a molecular weight of 277.30 g/mol. Its IUPAC name is (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid
PubChem CID107830169
Molecular FormulaC9H15N3O5S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC Name(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid
SMILESCCC(C#N)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H15N3O5S/c1-2-6(5-10)18(16,17)12-7(9(14)15)3-4-8(11)13/h6-7,12H,2-4H2,1H3,(H2,11,13)(H,14,15)/t6?,7-/m1/s1
InChIKeyZYFFWPPGUAPWQA-COBSHVIPSA-N
XLogP-1.07
TPSA150.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107824113
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CID 107830160
(2R)-2-(1-cyanoethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005099
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
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5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
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CID 28527492
5-amino-2-(methanesulfonamido)-5-oxopentanoic acid;benzene;2-(sulfonylamino)acetic acid
CID 174953505
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494
5-amino-5-oxo-2-(pentan-3-ylcarbamoylamino)pentanoic acid
CID 61188845
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
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(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
(2S)-5-amino-2-[(5-ethylthiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61454387

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid (CID 107830169) is (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid is CCC(C#N)S(=O)(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid?
The InChIKey is ZYFFWPPGUAPWQA-COBSHVIPSA-N. The full InChI is InChI=1S/C9H15N3O5S/c1-2-6(5-10)18(16,17)12-7(9(14)15)3-4-8(11)13/h6-7,12H,2-4H2,1H3,(H2,11,13)(H,14,15)/t6?,7-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid has a molecular weight of 277.30 g/mol, XLogP of -1.07, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107830169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).