propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate

C15H27N3O5 — CID 58185250

IUPACpropan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CC[C@H](NC(=O)OC(C)C)C1)C(C)C
InChIInChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)16-15(21)23-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1
InChIKeyDEWMIDBLURJQRU-RYUDHWBXSA-N
MW329.40 g/mol
LogP1.10
Rot. Bonds5

About propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate

propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate (PubChem CID 58185250) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate
PubChem CID58185250
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Namepropan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate
SMILESCOC(=O)N[C@H](C(=O)N1CC[C@H](NC(=O)OC(C)C)C1)C(C)C
InChIInChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)16-15(21)23-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1
InChIKeyDEWMIDBLURJQRU-RYUDHWBXSA-N
XLogP1.10
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate?
The IUPAC name of propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate (CID 58185250) is propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate?
The canonical SMILES for propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate is COC(=O)N[C@H](C(=O)N1CC[C@H](NC(=O)OC(C)C)C1)C(C)C.
What is the InChIKey of propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate?
The InChIKey is DEWMIDBLURJQRU-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-9(2)12(17-14(20)22-5)13(19)18-7-6-11(8-18)16-15(21)23-10(3)4/h9-12H,6-8H2,1-5H3,(H,16,21)(H,17,20)/t11-,12-/m0/s1.
What are the key properties of propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate?
propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate has a molecular weight of 329.40 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(3S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 58185250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).