2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid

C10H14N2O3 — CID 24708312

IUPAC2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
SMILESC#CCNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H14N2O3/c1-3-6-11-9(15)12-10(2,8(13)14)7-4-5-7/h1,7H,4-6H2,2H3,(H,13,14)(H2,11,12,15)
InChIKeyTVYXZLJNZYLXIS-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.17
Rot. Bonds4

About 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid

2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid (PubChem CID 24708312) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
PubChem CID24708312
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
SMILESC#CCNC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C10H14N2O3/c1-3-6-11-9(15)12-10(2,8(13)14)7-4-5-7/h1,7H,4-6H2,2H3,(H,13,14)(H2,11,12,15)
InChIKeyTVYXZLJNZYLXIS-UHFFFAOYSA-N
XLogP0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61402734
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
2-cyclopropyl-2-[(2,3-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 43658790
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid (CID 24708312) is 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid is C#CCNC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid?
The InChIKey is TVYXZLJNZYLXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-6-11-9(15)12-10(2,8(13)14)7-4-5-7/h1,7H,4-6H2,2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid?
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid is sourced from PubChem (CID 24708312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).