[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid

C9H17NO3 — CID 175351360

IUPAC[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1(CO)CC1)NC(=O)O
InChIInChI=1S/C9H17NO3/c1-8(2,10-7(12)13)5-9(6-11)3-4-9/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyDLVCOBJEPJDRIO-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.20
Rot. Bonds4

About [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid

[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid (PubChem CID 175351360) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid
PubChem CID175351360
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1(CO)CC1)NC(=O)O
InChIInChI=1S/C9H17NO3/c1-8(2,10-7(12)13)5-9(6-11)3-4-9/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyDLVCOBJEPJDRIO-UHFFFAOYSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid (CID 175351360) is [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid is CC(C)(CC1(CO)CC1)NC(=O)O.
What is the InChIKey of [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid?
The InChIKey is DLVCOBJEPJDRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,10-7(12)13)5-9(6-11)3-4-9/h10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid?
[1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid has a molecular weight of 187.24 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(hydroxymethyl)cyclopropyl]-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 175351360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).