(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid

C8H15N3O5S — CID 104935540

IUPAC(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H15N3O5S/c9-7(12)4-3-6(8(13)14)11-17(15,16)10-5-1-2-5/h5-6,10-11H,1-4H2,(H2,9,12)(H,13,14)/t6-/m1/s1
InChIKeyCQQOAUZPYNKEGR-ZCFIWIBFSA-N
MW265.29 g/mol
LogP-1.71
Rot. Bonds8

About (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid (PubChem CID 104935540) has the molecular formula C8H15N3O5S and a molecular weight of 265.29 g/mol. Its IUPAC name is (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
PubChem CID104935540
Molecular FormulaC8H15N3O5S
Molecular Weight265.29 g/mol
Exact Mass265.07
IUPAC Name(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)NC1CC1)C(=O)O
InChIInChI=1S/C8H15N3O5S/c9-7(12)4-3-6(8(13)14)11-17(15,16)10-5-1-2-5/h5-6,10-11H,1-4H2,(H2,9,12)(H,13,14)/t6-/m1/s1
InChIKeyCQQOAUZPYNKEGR-ZCFIWIBFSA-N
XLogP-1.71
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylsulfamoylamino)-5-methoxy-5-oxopentanoic acid
CID 114806990
2-(cyclopropylsulfamoylamino)-4-methoxybutanoic acid
CID 114533415
(2S)-2-(cyclopropylsulfamoylamino)-4-phenylbutanoic acid
CID 104983280
5-amino-2-[3-(cyclopropylamino)propanoylamino]-5-oxopentanoic acid
CID 61156701
2-(cyclopropylsulfamoylamino)propanoic acid
CID 114805252
(2R)-5-amino-2-(cyanomethylsulfonylamino)-5-oxopentanoic acid
CID 107830160
(2S)-5-amino-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-5-oxopentanoic acid
CID 61201562
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-5-amino-2-(3-methoxypropylsulfonylamino)-5-oxopentanoic acid
CID 55172494

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid (CID 104935540) is (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid is NC(=O)CC[C@@H](NS(=O)(=O)NC1CC1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid?
The InChIKey is CQQOAUZPYNKEGR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H15N3O5S/c9-7(12)4-3-6(8(13)14)11-17(15,16)10-5-1-2-5/h5-6,10-11H,1-4H2,(H2,9,12)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid has a molecular weight of 265.29 g/mol, XLogP of -1.71, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(cyclopropylsulfamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 104935540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).