2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid

C11H19N3O4S — CID 62697660

IUPAC2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid
SMILESCSCCC(NC(N)=O)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4S/c1-19-5-4-7(13-11(12)18)9(15)14-8(10(16)17)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H3,12,13,18)
InChIKeyJNQTXTVQVWMLOJ-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.24
Rot. Bonds8

About 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid

2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697660) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid
PubChem CID62697660
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC Name2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid
SMILESCSCCC(NC(N)=O)C(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4S/c1-19-5-4-7(13-11(12)18)9(15)14-8(10(16)17)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H3,12,13,18)
InChIKeyJNQTXTVQVWMLOJ-UHFFFAOYSA-N
XLogP-0.24
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 61151608
4-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
CID 43171450
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
2-(carbamoylamino)-N-[(2R)-1-hydroxypropan-2-yl]-4-methylsulfanylbutanamide
CID 79027563
(2S)-2-(carbamoylamino)-N-cycloheptyl-4-methylsulfanylbutanamide
CID 9218034
(2R)-5-amino-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 107829909
5-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-methylpentanoic acid
CID 104682784
2-(carbamoylamino)-N-[1-(hydroxymethyl)cyclohexyl]-4-methylsulfanylbutanamide
CID 62520222
(2R)-2-[[(2R)-2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 133109042
2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 18237590
(2S)-2-[[2-(carbamoylamino)-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 61153726
2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoic acid
CID 18224029

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid (CID 62697660) is 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid is CSCCC(NC(N)=O)C(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid?
The InChIKey is JNQTXTVQVWMLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-19-5-4-7(13-11(12)18)9(15)14-8(10(16)17)6-2-3-6/h6-8H,2-5H2,1H3,(H,14,15)(H,16,17)(H3,12,13,18).
What are the key properties of 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid?
2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid has a molecular weight of 289.36 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).