2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid

C14H23N5O4 — CID 107067066

IUPAC2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(CNC(=O)OC(C)(C)C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C14H23N5O4/c1-13(2,3)23-12(22)15-8-14(11(20)21,9-5-6-9)7-10-16-18-19(4)17-10/h9H,5-8H2,1-4H3,(H,15,22)(H,20,21)
InChIKeyOIJCUVCWKQUQGP-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.76
Rot. Bonds6

About 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid

2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid (PubChem CID 107067066) has the molecular formula C14H23N5O4 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
PubChem CID107067066
Molecular FormulaC14H23N5O4
Molecular Weight325.37 g/mol
Exact Mass325.18
IUPAC Name2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid
SMILESCn1nnc(CC(CNC(=O)OC(C)(C)C)(C(=O)O)C2CC2)n1
InChIInChI=1S/C14H23N5O4/c1-13(2,3)23-12(22)15-8-14(11(20)21,9-5-6-9)7-10-16-18-19(4)17-10/h9H,5-8H2,1-4H3,(H,15,22)(H,20,21)
InChIKeyOIJCUVCWKQUQGP-UHFFFAOYSA-N
XLogP0.76
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid with MolForge

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Related Compounds

tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
2-cyclopropyl-4-hydroxy-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106489825
2-(cyclohexylmethyl)-2-cyclopropyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106489840
2-cyclopropyl-2-(cyclopropylmethoxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106931599
2-cycloheptyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoic acid
CID 106487777
2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(oxan-2-yl)propanoic acid
CID 106489809
N-tert-butyl-2-cyclopropyl-2-methyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107053545
tert-butyl N-[2-cyclopropyl-2-(ethylamino)propyl]carbamate
CID 103790492
tert-butyl N-[2-(azetidin-3-ylamino)-2-cyclopropylpropyl]carbamate
CID 107252054
tert-butyl N-[(2S)-2-cyclopropyl-2-[(1-methylpyrazol-4-yl)methylamino]propyl]carbamate
CID 124509244
3-ethoxy-2-methyl-2-[(2-methyltetrazol-5-yl)methyl]-3-oxopropanoic acid
CID 107061624

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid (CID 107067066) is 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid is Cn1nnc(CC(CNC(=O)OC(C)(C)C)(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid?
The InChIKey is OIJCUVCWKQUQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O4/c1-13(2,3)23-12(22)15-8-14(11(20)21,9-5-6-9)7-10-16-18-19(4)17-10/h9H,5-8H2,1-4H3,(H,15,22)(H,20,21).
What are the key properties of 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid?
2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid has a molecular weight of 325.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-(2-methyltetrazol-5-yl)propanoic acid is sourced from PubChem (CID 107067066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).