(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide

C8H12N2O2S — CID 87509827

IUPAC(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
SMILESN[C@@H](CC(=O)NO)Cc1ccsc1
InChIInChI=1S/C8H12N2O2S/c9-7(4-8(11)10-12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4,9H2,(H,10,11)/t7-/m1/s1
InChIKeyCDZMFXYFIURMGR-SSDOTTSWSA-N
MW200.26 g/mol
LogP0.51
Rot. Bonds4

About (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide

(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide (PubChem CID 87509827) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
PubChem CID87509827
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide
SMILESN[C@@H](CC(=O)NO)Cc1ccsc1
InChIInChI=1S/C8H12N2O2S/c9-7(4-8(11)10-12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4,9H2,(H,10,11)/t7-/m1/s1
InChIKeyCDZMFXYFIURMGR-SSDOTTSWSA-N
XLogP0.51
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-thiophen-3-ylbutanoic acid;hydrochloride
CID 53397987
2-[(2-amino-3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 78069023
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-(5-bromothiophen-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105134659
4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
CID 59838371
1-hydroxy-2-(1-thiophen-3-ylpropan-2-yl)guanidine
CID 62482918
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
4-amino-1-thiophen-3-ylheptan-2-one
CID 116607941

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?
The IUPAC name of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide (CID 87509827) is (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide.
What is the SMILES notation for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?
The canonical SMILES for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide is N[C@@H](CC(=O)NO)Cc1ccsc1.
What is the InChIKey of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?
The InChIKey is CDZMFXYFIURMGR-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-7(4-8(11)10-12)3-6-1-2-13-5-6/h1-2,5,7,12H,3-4,9H2,(H,10,11)/t7-/m1/s1.
What are the key properties of (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide?
(3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide has a molecular weight of 200.26 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-hydroxy-4-thiophen-3-ylbutanamide is sourced from PubChem (CID 87509827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).