cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

C11H18N2O5 — CID 114092791

IUPACcis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCNC(=O)C(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6(9(14)12-3-4-18-2)13-10(15)7-5-8(7)11(16)17/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6?,7-,8+/m1/s1
InChIKeyHNAKDTXNJOFSJU-VVXQKDJTSA-N
MW258.27 g/mol
LogP-1.03
Rot. Bonds7

About cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 114092791) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID114092791
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Namecis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOCCNC(=O)C(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O
InChIInChI=1S/C11H18N2O5/c1-6(9(14)12-3-4-18-2)13-10(15)7-5-8(7)11(16)17/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6?,7-,8+/m1/s1
InChIKeyHNAKDTXNJOFSJU-VVXQKDJTSA-N
XLogP-1.03
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.03
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

2-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 113407184
2-[[1-(benzylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182498
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 114424479
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
1-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]azetidine-3-carboxylic acid
CID 113408030
4-methyl-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114390822
trans-(1R,2R)-2-(propan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93311717
cis-(1S,2R)-2-[(4-hydroxy-1-methoxybutan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106155429
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868358
2-(cyclobutylcarbamoylamino)-N-(2-methoxyethyl)propanamide
CID 116657734

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 114092791) is cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is COCCNC(=O)C(C)NC(=O)[C@@H]1C[C@@H]1C(=O)O.
What is the InChIKey of cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is HNAKDTXNJOFSJU-VVXQKDJTSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-6(9(14)12-3-4-18-2)13-10(15)7-5-8(7)11(16)17/h6-8H,3-5H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 258.27 g/mol, XLogP of -1.03, 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-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 114092791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).