2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid

C10H17NO2 — CID 103251168

IUPAC2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC(C)CC1CC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-7(10(12)13)6-11-8(2)5-9-3-4-9/h8-9,11H,1,3-6H2,2H3,(H,12,13)
InChIKeyWIHGTQVHVKWQKD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.41
Rot. Bonds6

About 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid

2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid (PubChem CID 103251168) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid
PubChem CID103251168
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid
SMILESC=C(CNC(C)CC1CC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-7(10(12)13)6-11-8(2)5-9-3-4-9/h8-9,11H,1,3-6H2,2H3,(H,12,13)
InChIKeyWIHGTQVHVKWQKD-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclobutylpropan-2-ylamino)-N-ethylacetamide
CID 115707078
2-[(1-aminoethylamino)methyl]prop-2-enoic acid
CID 175034239
2-[(1-ethylsulfanylpropan-2-ylamino)methyl]prop-2-enoic acid
CID 103267413
2-[(1-cyclohexylpropylamino)methyl]prop-2-enoic acid
CID 103249992
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
CID 103247604
2-(1-cyclobutylpropan-2-ylamino)-N,N-dimethylacetamide
CID 115927364
methyl 4-(1-cyclopropylpropan-2-ylamino)-2-methylbut-2-enoate
CID 103251180
2-[[2-(1-cyclopropylpropan-2-ylcarbamoylamino)acetyl]amino]acetic acid
CID 63993771
2-[(3-ethylpentan-2-ylamino)methyl]prop-2-enoic acid
CID 103250756
3-(1-cyclopropylpropan-2-ylamino)-3-oxopropanoic acid
CID 63994028
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
2-[[(4-propylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103245657

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid?
The IUPAC name of 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid (CID 103251168) is 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid is C=C(CNC(C)CC1CC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid?
The InChIKey is WIHGTQVHVKWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(10(12)13)6-11-8(2)5-9-3-4-9/h8-9,11H,1,3-6H2,2H3,(H,12,13).
What are the key properties of 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid?
2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpropan-2-ylamino)methyl]prop-2-enoic acid is sourced from PubChem (CID 103251168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).