(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide

C6H13ClN2O2 — CID 118631937

IUPAC(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide
SMILESCCNC(=O)[C@@H](NCl)[C@@H](C)O
InChIInChI=1S/C6H13ClN2O2/c1-3-8-6(11)5(9-7)4(2)10/h4-5,9-10H,3H2,1-2H3,(H,8,11)/t4-,5+/m1/s1
InChIKeyLZFRNCPERNOLAR-UHNVWZDZSA-N
MW180.63 g/mol
LogP-0.38
Rot. Bonds4

About (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide

(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide (PubChem CID 118631937) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide.

Molecular Properties

Compound Name(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide
PubChem CID118631937
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide
SMILESCCNC(=O)[C@@H](NCl)[C@@H](C)O
InChIInChI=1S/C6H13ClN2O2/c1-3-8-6(11)5(9-7)4(2)10/h4-5,9-10H,3H2,1-2H3,(H,8,11)/t4-,5+/m1/s1
InChIKeyLZFRNCPERNOLAR-UHNVWZDZSA-N
XLogP-0.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
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2-chloro-N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47100101
2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
CID 143299850
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
N-ethyl-2,4-dihydroxybutanamide
CID 54530435
2-cyano-N-ethylpropanamide
CID 23199183
3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
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(2S)-2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]-3-methylbutanoic acid
CID 54959008

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide?
The IUPAC name of (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide (CID 118631937) is (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide.
What is the SMILES notation for (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide?
The canonical SMILES for (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide is CCNC(=O)[C@@H](NCl)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide?
The InChIKey is LZFRNCPERNOLAR-UHNVWZDZSA-N. The full InChI is InChI=1S/C6H13ClN2O2/c1-3-8-6(11)5(9-7)4(2)10/h4-5,9-10H,3H2,1-2H3,(H,8,11)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide?
(2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide has a molecular weight of 180.63 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(chloroamino)-N-ethyl-3-hydroxybutanamide is sourced from PubChem (CID 118631937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).