4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid

C16H22N2O3 — CID 61159538

IUPAC4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
SMILESCC(N)(C(=O)N(CCCC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-16(17,12-9-10-12)15(21)18(11-5-8-14(19)20)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,17H2,1H3,(H,19,20)
InChIKeyLWTNWOUJJYEWEA-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.01
Rot. Bonds7

About 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid

4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid (PubChem CID 61159538) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid.

Molecular Properties

Compound Name4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
PubChem CID61159538
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid
SMILESCC(N)(C(=O)N(CCCC(=O)O)c1ccccc1)C1CC1
InChIInChI=1S/C16H22N2O3/c1-16(17,12-9-10-12)15(21)18(11-5-8-14(19)20)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,17H2,1H3,(H,19,20)
InChIKeyLWTNWOUJJYEWEA-UHFFFAOYSA-N
XLogP2.01
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(cyclopropylcarbamoyl)anilino]butanoic acid
CID 61187931
4-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]butanoic acid
CID 61161104
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
3-(N-(3-amino-2,2-dimethylpropanoyl)anilino)propanoic acid
CID 115426559
3-[(2-amino-2-cyclopropylpropanoyl)-ethylamino]propanoic acid
CID 62328664
4-(N-[(2S)-2-aminobutanoyl]anilino)butanoic acid
CID 79022828
3-[(2-amino-2-cyclopropylpropanoyl)-propan-2-ylamino]propanoic acid
CID 61162059
4-[N-(2,2,2-trifluoroethoxycarbonyl)anilino]butanoic acid
CID 61170013
4-(N-[(2R)-oxolane-2-carbonyl]anilino)butanoic acid
CID 104855556
4-[N-(3-methylsulfanylpropanoyl)anilino]butanoic acid
CID 60657240
4-[N-(2-aminopentanoyl)anilino]butanoic acid
CID 61162052
3-(N-butylanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821873

Frequently Asked Questions

What is the IUPAC name of 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid?
The IUPAC name of 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid (CID 61159538) is 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid.
What is the SMILES notation for 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid?
The canonical SMILES for 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid is CC(N)(C(=O)N(CCCC(=O)O)c1ccccc1)C1CC1.
What is the InChIKey of 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid?
The InChIKey is LWTNWOUJJYEWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-16(17,12-9-10-12)15(21)18(11-5-8-14(19)20)13-6-3-2-4-7-13/h2-4,6-7,12H,5,8-11,17H2,1H3,(H,19,20).
What are the key properties of 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid?
4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(2-amino-2-cyclopropylpropanoyl)anilino)butanoic acid is sourced from PubChem (CID 61159538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).