N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide

C19H34N6O5 — CID 59335249

IUPACN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide
SMILESCCC1CC(C(=O)NC(C)C(=O)NC(C)C(N)=O)N(C(=O)C(C)NC(=O)C(C)N)C1
InChIInChI=1S/C19H34N6O5/c1-6-13-7-14(18(29)23-11(4)17(28)22-10(3)15(21)26)25(8-13)19(30)12(5)24-16(27)9(2)20/h9-14H,6-8,20H2,1-5H3,(H2,21,26)(H,22,28)(H,23,29)(H,24,27)
InChIKeyGVFAPLGVBAOKTR-UHFFFAOYSA-N
MW426.52 g/mol
LogP-2.04
Rot. Bonds9

About N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide

N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide (PubChem CID 59335249) has the molecular formula C19H34N6O5 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide
PubChem CID59335249
Molecular FormulaC19H34N6O5
Molecular Weight426.52 g/mol
Exact Mass426.26
IUPAC NameN-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide
SMILESCCC1CC(C(=O)NC(C)C(=O)NC(C)C(N)=O)N(C(=O)C(C)NC(=O)C(C)N)C1
InChIInChI=1S/C19H34N6O5/c1-6-13-7-14(18(29)23-11(4)17(28)22-10(3)15(21)26)25(8-13)19(30)12(5)24-16(27)9(2)20/h9-14H,6-8,20H2,1-5H3,(H2,21,26)(H,22,28)(H,23,29)(H,24,27)
InChIKeyGVFAPLGVBAOKTR-UHFFFAOYSA-N
XLogP-2.04
TPSA176.72 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 5-2.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide (CID 59335249) is N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide is CCC1CC(C(=O)NC(C)C(=O)NC(C)C(N)=O)N(C(=O)C(C)NC(=O)C(C)N)C1.
What is the InChIKey of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide?
The InChIKey is GVFAPLGVBAOKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O5/c1-6-13-7-14(18(29)23-11(4)17(28)22-10(3)15(21)26)25(8-13)19(30)12(5)24-16(27)9(2)20/h9-14H,6-8,20H2,1-5H3,(H2,21,26)(H,22,28)(H,23,29)(H,24,27).
What are the key properties of N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide?
N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide has a molecular weight of 426.52 g/mol, XLogP of -2.04, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]-1-[2-(2-aminopropanoylamino)propanoyl]-4-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 59335249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).