N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide

C16H29N5O4 — CID 59335303

IUPACN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide
SMILES[1H]N([3H])C(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C16H29N5O4/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)/i/hTH
InChIKeyNPFHYFNAHLSKJQ-AQBNXNELSA-N
MW357.45 g/mol
LogP-1.53
Rot. Bonds8

About N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide

N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide (PubChem CID 59335303) has the molecular formula C16H29N5O4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide.

Molecular Properties

Compound NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide
PubChem CID59335303
Molecular FormulaC16H29N5O4
Molecular Weight357.45 g/mol
Exact Mass357.23
IUPAC NameN-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide
SMILES[1H]N([3H])C(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C16H29N5O4/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)/i/hTH
InChIKeyNPFHYFNAHLSKJQ-AQBNXNELSA-N
XLogP-1.53
TPSA133.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-oxo-1-[[1-oxo-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]amino]propan-2-yl]propanamide;2-[2-(propanoylamino)propanoylamino]propanamide
CID 91125359
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272
(2R)-2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79013484
2-amino-3,3-dimethyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide
CID 113288460
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2S)-2-amino-4-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 61180719
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
2-(aminomethyl)-4,4-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 107471478

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide?
The IUPAC name of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide (CID 59335303) is N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide.
What is the SMILES notation for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide?
The canonical SMILES for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide is [1H]N([3H])C(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide?
The InChIKey is NPFHYFNAHLSKJQ-AQBNXNELSA-N. The full InChI is InChI=1S/C16H29N5O4/c1-9(17)13(22)18-10(2)14(23)19-11(3)15(24)20-12(4)16(25)21-7-5-6-8-21/h9-12H,5-8,17H2,1-4H3,(H,18,22)(H,19,23)(H,20,24)/i/hTH.
What are the key properties of N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide?
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide has a molecular weight of 357.45 g/mol, XLogP of -1.53, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-[2-[2-[protio(tritio)amino]propanoylamino]propanoylamino]propanamide is sourced from PubChem (CID 59335303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).