(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide

C10H21N3O2S — CID 104909009

IUPAC(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
SMILESCCNC(=O)CCNC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H21N3O2S/c1-3-12-9(14)4-6-13-10(15)8(11)5-7-16-2/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m1/s1
InChIKeyUXIBXOLXYOLMLU-MRVPVSSYSA-N
MW247.36 g/mol
LogP-0.29
Rot. Bonds8

About (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide

(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide (PubChem CID 104909009) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
PubChem CID104909009
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide
SMILESCCNC(=O)CCNC(=O)[C@H](N)CCSC
InChIInChI=1S/C10H21N3O2S/c1-3-12-9(14)4-6-13-10(15)8(11)5-7-16-2/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m1/s1
InChIKeyUXIBXOLXYOLMLU-MRVPVSSYSA-N
XLogP-0.29
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
(2S)-2-amino-4-methylsulfanyl-N-(6-methylsulfanylhexyl)butanamide
CID 114125345
(2S)-2-amino-N-[2-(diethylamino)ethyl]-4-methylsulfanylbutanamide
CID 61148645
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
(2S)-2-amino-N-(4-methylpentyl)-4-methylsulfanylbutanamide
CID 61158173
(2R)-2-amino-N-(2-methylbutyl)-4-methylsulfanylbutanamide
CID 104908379
(2S)-2-amino-N-(cyanomethyl)-4-methylsulfanylbutanamide
CID 61252327
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 102454632
(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide (CID 104909009) is (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide is CCNC(=O)CCNC(=O)[C@H](N)CCSC.
What is the InChIKey of (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide?
The InChIKey is UXIBXOLXYOLMLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c1-3-12-9(14)4-6-13-10(15)8(11)5-7-16-2/h8H,3-7,11H2,1-2H3,(H,12,14)(H,13,15)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide?
(2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide has a molecular weight of 247.36 g/mol, XLogP of -0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(ethylamino)-3-oxopropyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 104909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).