(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid

C12H25N3O3 — CID 103190217

IUPAC(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N(CC)C(C)CN(C)C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-6-10(11(16)17)13-12(18)15(7-2)9(3)8-14(4)5/h9-10H,6-8H2,1-5H3,(H,13,18)(H,16,17)/t9?,10-/m1/s1
InChIKeyIMNKGLDSUCFQMX-QVDQXJPCSA-N
MW259.35 g/mol
LogP0.83
Rot. Bonds7

About (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid

(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid (PubChem CID 103190217) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
PubChem CID103190217
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid
SMILESCC[C@@H](NC(=O)N(CC)C(C)CN(C)C)C(=O)O
InChIInChI=1S/C12H25N3O3/c1-6-10(11(16)17)13-12(18)15(7-2)9(3)8-14(4)5/h9-10H,6-8H2,1-5H3,(H,13,18)(H,16,17)/t9?,10-/m1/s1
InChIKeyIMNKGLDSUCFQMX-QVDQXJPCSA-N
XLogP0.83
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid?
The IUPAC name of (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid (CID 103190217) is (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid is CC[C@@H](NC(=O)N(CC)C(C)CN(C)C)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid?
The InChIKey is IMNKGLDSUCFQMX-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-6-10(11(16)17)13-12(18)15(7-2)9(3)8-14(4)5/h9-10H,6-8H2,1-5H3,(H,13,18)(H,16,17)/t9?,10-/m1/s1.
What are the key properties of (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid?
(2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid has a molecular weight of 259.35 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 103190217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).