[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid

C11H21N3O4 — CID 150881139

IUPAC[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](NNC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)12-7-4-5-8(6-7)13-14-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyKWAQXBOPORBBER-SFYZADRCSA-N
MW259.31 g/mol
LogP1.20
Rot. Bonds3

About [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid

[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid (PubChem CID 150881139) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid.

Molecular Properties

Compound Name[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
PubChem CID150881139
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@H](NNC(=O)O)C1
InChIInChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)12-7-4-5-8(6-7)13-14-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7-,8+/m1/s1
InChIKeyKWAQXBOPORBBER-SFYZADRCSA-N
XLogP1.20
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565

Frequently Asked Questions

What is the IUPAC name of [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid?
The IUPAC name of [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid (CID 150881139) is [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid.
What is the SMILES notation for [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid?
The canonical SMILES for [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid is CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NNC(=O)O)C1.
What is the InChIKey of [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid?
The InChIKey is KWAQXBOPORBBER-SFYZADRCSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-11(2,3)18-10(17)12-7-4-5-8(6-7)13-14-9(15)16/h7-8,13-14H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7-,8+/m1/s1.
What are the key properties of [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid?
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid has a molecular weight of 259.31 g/mol, XLogP of 1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid is sourced from PubChem (CID 150881139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).