2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid

C12H22N2O3 — CID 43468491

IUPAC2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)CNC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)10(15)7-13-11(8(2)3)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyBDSFUGKRDKLLHU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds7

About 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid

2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid (PubChem CID 43468491) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
PubChem CID43468491
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
SMILESCCN(C(=O)CNC(C(=O)O)C(C)C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)10(15)7-13-11(8(2)3)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17)
InChIKeyBDSFUGKRDKLLHU-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-ethyl-2-(3-methylbutan-2-ylamino)acetamide
CID 61488088
2-(butan-2-ylamino)-N-cyclohexyl-N-ethylacetamide
CID 60684282
N-cyclopropyl-N-ethyl-2-(5-methylhexan-2-ylamino)acetamide
CID 63928127
N-cyclopropyl-2-[1-(dimethylamino)propan-2-ylamino]-N-ethylacetamide
CID 82938894
2-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468179
(2S,3S)-2-[[2-[cyclopropyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100128
N-benzyl-2-(butan-2-ylamino)-N-cyclopropylacetamide
CID 54925148
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
CID 43465978
N-cyclopropyl-N-ethyl-2-(pent-1-yn-3-ylamino)acetamide
CID 106229203
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468758

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid (CID 43468491) is 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid is CCN(C(=O)CNC(C(=O)O)C(C)C)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
The InChIKey is BDSFUGKRDKLLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-14(9-5-6-9)10(15)7-13-11(8(2)3)12(16)17/h8-9,11,13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid?
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 43468491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).