[(1S,3S)-3-methoxycyclopentyl]carbamic acid

C7H13NO3 — CID 135318660

IUPAC[(1S,3S)-3-methoxycyclopentyl]carbamic acid
SMILESCO[C@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-6-3-2-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyOQQDHPOKCSKBHU-WDSKDSINSA-N
MW159.18 g/mol
LogP0.82
Rot. Bonds2

About [(1S,3S)-3-methoxycyclopentyl]carbamic acid

[(1S,3S)-3-methoxycyclopentyl]carbamic acid (PubChem CID 135318660) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [(1S,3S)-3-methoxycyclopentyl]carbamic acid.

Molecular Properties

Compound Name[(1S,3S)-3-methoxycyclopentyl]carbamic acid
PubChem CID135318660
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[(1S,3S)-3-methoxycyclopentyl]carbamic acid
SMILESCO[C@H]1CC[C@H](NC(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-11-6-3-2-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1
InChIKeyOQQDHPOKCSKBHU-WDSKDSINSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methoxycyclohexyl)carbamic acid
CID 68557751
1-methoxy-3-(3-methoxycyclopentyl)urea
CID 131201324
[(1S,2S,5S)-5-(carboxyamino)-2-methoxycyclohexyl]carbamic acid
CID 146636200
N-(3-methoxycyclopentyl)butanamide
CID 103082475
(3-cyclopropyloxycyclobutyl)carbamic acid
CID 172801977
1-[(1R,3S)-3-methoxycyclopentyl]-3-(4-propan-2-yloxycyclohexyl)urea
CID 99830189
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
N-(3-methoxycyclopentyl)-2-(2-methoxyethoxy)acetamide
CID 103083115
[(1S,3R,4R)-4-(hydroxymethyl)-3-methoxycyclohexyl]carbamic acid
CID 90107864
1-[2-[(3-methoxycyclopentyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 114117925
N-[(1S,3S)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395652
N-[(1R,3R)-3-methoxycyclopentyl]-1-azabicyclo[3.1.0]hexane-3-carboxamide
CID 141395659

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-methoxycyclopentyl]carbamic acid?
The IUPAC name of [(1S,3S)-3-methoxycyclopentyl]carbamic acid (CID 135318660) is [(1S,3S)-3-methoxycyclopentyl]carbamic acid.
What is the SMILES notation for [(1S,3S)-3-methoxycyclopentyl]carbamic acid?
The canonical SMILES for [(1S,3S)-3-methoxycyclopentyl]carbamic acid is CO[C@H]1CC[C@H](NC(=O)O)C1.
What is the InChIKey of [(1S,3S)-3-methoxycyclopentyl]carbamic acid?
The InChIKey is OQQDHPOKCSKBHU-WDSKDSINSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-6-3-2-5(4-6)8-7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of [(1S,3S)-3-methoxycyclopentyl]carbamic acid?
[(1S,3S)-3-methoxycyclopentyl]carbamic acid has a molecular weight of 159.18 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-methoxycyclopentyl]carbamic acid is sourced from PubChem (CID 135318660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).