[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

C23H35N3O5 — CID 8942988

IUPAC[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C23H35N3O5/c1-14(21(29)26-22(30)25-18-4-2-3-5-18)31-20(28)13-24-19(27)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h14-18H,2-13H2,1H3,(H,24,27)(H2,25,26,29,30)/t14-,15?,16?,17?,23?/m1/s1
InChIKeyORBFXYZRSXAKIS-KWJFTMPMSA-N
MW433.55 g/mol
LogP2.41
Rot. Bonds7

About [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate

[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (PubChem CID 8942988) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
PubChem CID8942988
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Name[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
SMILESC[C@@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C23H35N3O5/c1-14(21(29)26-22(30)25-18-4-2-3-5-18)31-20(28)13-24-19(27)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h14-18H,2-13H2,1H3,(H,24,27)(H2,25,26,29,30)/t14-,15?,16?,17?,23?/m1/s1
InChIKeyORBFXYZRSXAKIS-KWJFTMPMSA-N
XLogP2.41
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate with MolForge

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Related Compounds

[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942981
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46617772
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8018744
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8881634
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709428
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 8947528
[(1S)-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7755317
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (5S,7S)-3-hydroxyadamantane-1-carboxylate
CID 22489781
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 40674066
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309702
[(2S)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 8942936

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The IUPAC name of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate (CID 8942988) is [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate.
What is the SMILES notation for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The canonical SMILES for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is C[C@@H](OC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
The InChIKey is ORBFXYZRSXAKIS-KWJFTMPMSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-14(21(29)26-22(30)25-18-4-2-3-5-18)31-20(28)13-24-19(27)12-23-9-15-6-16(10-23)8-17(7-15)11-23/h14-18H,2-13H2,1H3,(H,24,27)(H2,25,26,29,30)/t14-,15?,16?,17?,23?/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate?
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate has a molecular weight of 433.55 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate is sourced from PubChem (CID 8942988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).