cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C11H19NO5 — CID 106184925

IUPACcis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCC(CO)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO5/c1-11(2)7(8(11)10(15)16)9(14)12-6(4-13)5-17-3/h6-8,13H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8+/m1/s1
InChIKeyPPWGPSAHUXSOCL-VVXQKDJTSA-N
MW245.27 g/mol
LogP-0.53
Rot. Bonds6

About cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 106184925) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID106184925
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namecis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCC(CO)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C
InChIInChI=1S/C11H19NO5/c1-11(2)7(8(11)10(15)16)9(14)12-6(4-13)5-17-3/h6-8,13H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8+/m1/s1
InChIKeyPPWGPSAHUXSOCL-VVXQKDJTSA-N
XLogP-0.53
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid with MolForge

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Related Compounds

3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)butanamide
CID 106188743
(2R)-2-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106188319
2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835619
3-[(1-carboxy-3-methylbutyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835622
2-bromo-N-(1-hydroxy-3-methoxypropan-2-yl)-3-methylbutanamide
CID 106186138
cis-(1R,3S)-3-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091737
cis-(1R,3S)-3-methoxycarbonyl-2,2-dimethylcyclopropane-1-carboxylic acid
CID 13041474
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
cis-(1R,3S)-2,2-dimethyl-3-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114093097
6-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-methylheptanamide
CID 106188485

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 106184925) is cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COCC(CO)NC(=O)[C@H]1[C@@H](C(=O)O)C1(C)C.
What is the InChIKey of cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is PPWGPSAHUXSOCL-VVXQKDJTSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2)7(8(11)10(15)16)9(14)12-6(4-13)5-17-3/h6-8,13H,4-5H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of -0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 106184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).