(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate

C10H16NO4- — CID 86307477

IUPAC(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate
SMILESCCCCOC(=O)N[C@@H](C(=O)[O-])C1CC1
InChIInChI=1S/C10H17NO4/c1-2-3-6-15-10(14)11-8(9(12)13)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)/p-1/t8-/m1/s1
InChIKeyYSJDCYTYDTYLJP-MRVPVSSYSA-M
MW214.24 g/mol
LogP0.04
Rot. Bonds6

About (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate

(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate (PubChem CID 86307477) has the molecular formula C10H16NO4- and a molecular weight of 214.24 g/mol. Its IUPAC name is (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate.

Molecular Properties

Compound Name(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate
PubChem CID86307477
Molecular FormulaC10H16NO4-
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate
SMILESCCCCOC(=O)N[C@@H](C(=O)[O-])C1CC1
InChIInChI=1S/C10H17NO4/c1-2-3-6-15-10(14)11-8(9(12)13)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)/p-1/t8-/m1/s1
InChIKeyYSJDCYTYDTYLJP-MRVPVSSYSA-M
XLogP0.04
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736802
dodecyl 2-cyclohexyl-2-(propoxycarbonylamino)acetate
CID 91732540
decyl 2-(3-chloropropoxycarbonylamino)-2-cyclohexylacetate
CID 91736837
butyl N-(1-aminoethyl)carbamate
CID 87930052
pentyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734175
heptyl 2-(but-3-enoxycarbonylamino)-2-cyclohexylacetate
CID 91734178
hexadecyl 2-(but-3-ynoxycarbonylamino)-2-cyclohexylacetate
CID 91734026
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
butyl N-(1-iodopropan-2-yl)carbamate
CID 54517423
methyl (2R)-2-(butoxycarbonylamino)butanoate
CID 137445344
propan-2-yl (3S)-2-(butoxycarbonylamino)-3-hydroxybutanoate
CID 87984973

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate?
The IUPAC name of (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate (CID 86307477) is (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate.
What is the SMILES notation for (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate?
The canonical SMILES for (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate is CCCCOC(=O)N[C@@H](C(=O)[O-])C1CC1.
What is the InChIKey of (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate?
The InChIKey is YSJDCYTYDTYLJP-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H17NO4/c1-2-3-6-15-10(14)11-8(9(12)13)7-4-5-7/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate?
(2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate has a molecular weight of 214.24 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(butoxycarbonylamino)-2-cyclopropylacetate is sourced from PubChem (CID 86307477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).