[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate

C17H29N3O7 — CID 144746809

IUPAC[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC(=NOC(=O)C1CCCC1O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O7/c1-16(2,3)25-14(23)18-13(19-15(24)26-17(4,5)6)20-27-12(22)10-8-7-9-11(10)21/h10-11,21H,7-9H2,1-6H3,(H2,18,19,20,23,24)
InChIKeyOARVHGAVIASELW-UHFFFAOYSA-N
MW387.43 g/mol
LogP2.01
Rot. Bonds2

About [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate

[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate (PubChem CID 144746809) has the molecular formula C17H29N3O7 and a molecular weight of 387.43 g/mol. Its IUPAC name is [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Name[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate
PubChem CID144746809
Molecular FormulaC17H29N3O7
Molecular Weight387.43 g/mol
Exact Mass387.20
IUPAC Name[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)NC(=NOC(=O)C1CCCC1O)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H29N3O7/c1-16(2,3)25-14(23)18-13(19-15(24)26-17(4,5)6)20-27-12(22)10-8-7-9-11(10)21/h10-11,21H,7-9H2,1-6H3,(H2,18,19,20,23,24)
InChIKeyOARVHGAVIASELW-UHFFFAOYSA-N
XLogP2.01
TPSA135.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
2-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 166728593
trans-1-O-tert-butyl 2-O-methyl (1R,2R)-cyclopentane-1,2-dicarboxylate
CID 70286212
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149454210
1-[(1S,2S)-2-hydroxycyclopentyl]-2,2-dimethylpropan-1-one
CID 124704154
tert-butyl N-[4-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]carbamate
CID 103715573
(1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-3-ene-1-carboxylic acid
CID 95897971
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786

Frequently Asked Questions

What is the IUPAC name of [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate?
The IUPAC name of [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate (CID 144746809) is [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate is CC(C)(C)OC(=O)NC(=NOC(=O)C1CCCC1O)NC(=O)OC(C)(C)C.
What is the InChIKey of [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate?
The InChIKey is OARVHGAVIASELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O7/c1-16(2,3)25-14(23)18-13(19-15(24)26-17(4,5)6)20-27-12(22)10-8-7-9-11(10)21/h10-11,21H,7-9H2,1-6H3,(H2,18,19,20,23,24).
What are the key properties of [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate?
[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate has a molecular weight of 387.43 g/mol, XLogP of 2.01, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino] 2-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 144746809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).