cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C9H14N2O5 — CID 106234746

IUPACcis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C9H14N2O5/c10-7(12)4-16-2-1-11-8(13)5-3-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyIFBVTFPBCVPDPV-RITPCOANSA-N
MW230.22 g/mol
LogP-1.67
Rot. Bonds7

About cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 106234746) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID106234746
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Namecis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESNC(=O)COCCNC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C9H14N2O5/c10-7(12)4-16-2-1-11-8(13)5-3-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)/t5-,6+/m1/s1
InChIKeyIFBVTFPBCVPDPV-RITPCOANSA-N
XLogP-1.67
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-Oxooxolan-2-yl)formamido]butanoic acid
CID 165464002
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
5-[2-[2-[2-(Ethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 90455559
(2S)-5-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethylamino]-2-methyl-5-oxopentanoic acid
CID 130235842
5-[[2-(3-Methylbutoxy)acetyl]amino]pentanoic acid
CID 142904627
cis-ethyl (1R,2S)-2-[(2-hydroxy-2-methylpropyl)carbamoyl]cyclopropane-1-carboxylate
CID 177992251
2-[3-(Cyclopropylmethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867540

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 106234746) is cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid is NC(=O)COCCNC(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IFBVTFPBCVPDPV-RITPCOANSA-N. The full InChI is InChI=1S/C9H14N2O5/c10-7(12)4-16-2-1-11-8(13)5-3-6(5)9(14)15/h5-6H,1-4H2,(H2,10,12)(H,11,13)(H,14,15)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of -1.67, 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-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106234746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).