cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

C10H17NO5 — CID 106155429

IUPACcis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCC(CCO)NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-16-5-6(2-3-12)11-9(13)7-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m1/s1
InChIKeyUVRZJGSKIQYELP-VVXQKDJTSA-N
MW231.25 g/mol
LogP-0.78
Rot. Bonds7

About cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106155429) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106155429
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namecis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCC(CCO)NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO5/c1-16-5-6(2-3-12)11-9(13)7-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m1/s1
InChIKeyUVRZJGSKIQYELP-VVXQKDJTSA-N
XLogP-0.78
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-hydroxy-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 162915431
(2S,4S)-2-amino-4-hydroxy-5-[[(2S)-2-methylbutyl]amino]-5-oxopentanoic acid
CID 162915432
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 63826773
cis-(1S,2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 105638504
2-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 105907708
cis-(1S,2R)-2-[2-(2,2-difluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 105907714
2-[1-(2,2,2-Trifluoroethoxy)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182928
2-(1,3-Dihydroxypropan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 23518034
(2S)-2-[5-[(3S)-2-amino-3-methylpentoxy]pentanoylamino]-4-hydroxybutanoic acid
CID 53784809
(2S)-5-amino-2-[(4-methoxy-2-methyl-4-oxobutanoyl)amino]-5-oxopentanoic acid
CID 54234612
2-(Propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 59001186
5-[[(1S)-1-carboxy-3-hydroxypropyl]amino]-2-methyl-5-oxopentanoic acid
CID 144493469

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 106155429) is cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is COCC(CCO)NC(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UVRZJGSKIQYELP-VVXQKDJTSA-N. The full InChI is InChI=1S/C10H17NO5/c1-16-5-6(2-3-12)11-9(13)7-4-8(7)10(14)15/h6-8,12H,2-5H2,1H3,(H,11,13)(H,14,15)/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106155429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).