4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid

C14H27N3O4 — CID 106917339

IUPAC4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-10(2)17(8-6-7-12(18)19)14(21)16(5)9-11(3)13(20)15-4/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeySKEYWEICZFUVRN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.00
Rot. Bonds8

About 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid

4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid (PubChem CID 106917339) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
PubChem CID106917339
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid
SMILESCNC(=O)C(C)CN(C)C(=O)N(CCCC(=O)O)C(C)C
InChIInChI=1S/C14H27N3O4/c1-10(2)17(8-6-7-12(18)19)14(21)16(5)9-11(3)13(20)15-4/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19)
InChIKeySKEYWEICZFUVRN-UHFFFAOYSA-N
XLogP1.00
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]propanoic acid
CID 106917240
3-[[methyl(2-methylbutyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61199676
5-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanoic acid
CID 106917295
4-[[2-methoxyethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61428193
4-[propan-2-yl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 61196397
4-[[ethyl(propan-2-yl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61195639
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 55007333
4-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]-methylamino]butanoic acid
CID 55005795
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[[ethyl(2-methylpropyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61197198
4-[[methyl(phenyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61186680
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 61201536

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid (CID 106917339) is 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid is CNC(=O)C(C)CN(C)C(=O)N(CCCC(=O)O)C(C)C.
What is the InChIKey of 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid?
The InChIKey is SKEYWEICZFUVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-10(2)17(8-6-7-12(18)19)14(21)16(5)9-11(3)13(20)15-4/h10-11H,6-9H2,1-5H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid?
4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 106917339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).