3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid

C11H20N2O3 — CID 122016596

IUPAC3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9-5-8(9)6-13-11(16)12-4-3-10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1
InChIKeyOMZIQXREUTVJPO-IUCAKERBSA-N
MW228.29 g/mol
LogP1.05
Rot. Bonds6

About 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid

3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid (PubChem CID 122016596) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid
PubChem CID122016596
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid
SMILESCC(C)[C@@H]1C[C@H]1CNC(=O)NCCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)9-5-8(9)6-13-11(16)12-4-3-10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1
InChIKeyOMZIQXREUTVJPO-IUCAKERBSA-N
XLogP1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[(1S,2S)-2-propan-2-ylcyclopropyl]methyl]propanamide;molecular hydrogen
CID 177329792
3-(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)propanoic acid
CID 55231648
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
3-[(4-propan-2-ylcyclohexyl)carbamoylamino]propanoic acid
CID 122006845
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995
3-[[(1S,3R)-3-(hydroxymethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122018096
3-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]propanoic acid
CID 16784459
3-[(3,3-difluorocyclopentyl)methylcarbamoylamino]propanoic acid
CID 122012735
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonylamino]propanoic acid
CID 152767217
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122015502
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid (CID 122016596) is 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid is CC(C)[C@@H]1C[C@H]1CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid?
The InChIKey is OMZIQXREUTVJPO-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)9-5-8(9)6-13-11(16)12-4-3-10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)(H2,12,13,16)/t8-,9-/m0/s1.
What are the key properties of 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid?
3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122016596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).