(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid

C11H21N3O4 — CID 106917286

IUPAC(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N(C)CC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-8(10(16)17)13-11(18)14(4)6-7(2)9(15)12-3/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyOYMHGWMHBNITGV-BRFYHDHCSA-N
MW259.31 g/mol
LogP-0.13
Rot. Bonds6

About (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid

(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid (PubChem CID 106917286) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
PubChem CID106917286
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N(C)CC(C)C(=O)NC)C(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-8(10(16)17)13-11(18)14(4)6-7(2)9(15)12-3/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1
InChIKeyOYMHGWMHBNITGV-BRFYHDHCSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic 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

2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pent-4-enoic acid
CID 106917378
4-methoxy-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917206
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
2-cyclopropyl-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 106917371
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
2-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917283
2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 106917229
2-methyl-3-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoic acid
CID 106916265
(2R)-3-hydroxy-2-[[2-hydroxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 80757694
(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
CID 103190217
2-[[methyl(2-methylbutyl)carbamoyl]amino]hexanoic acid
CID 61198544
(2S)-2-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]pentanoic acid
CID 107566626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid (CID 106917286) is (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid is CC[C@@H](NC(=O)N(C)CC(C)C(=O)NC)C(=O)O.
What is the InChIKey of (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
The InChIKey is OYMHGWMHBNITGV-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-8(10(16)17)13-11(18)14(4)6-7(2)9(15)12-3/h7-8H,5-6H2,1-4H3,(H,12,15)(H,13,18)(H,16,17)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid?
(2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 106917286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).