(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid

C16H26N2O3 — CID 107564760

IUPAC(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C16H26N2O3/c1-2-3-13(14(19)20)17-15(21)18-16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,19,20)(H2,17,18,21)/t10?,11?,12?,13-,16?/m1/s1
InChIKeyVTYXINLSFNOBNZ-RRHJKOLHSA-N
MW294.39 g/mol
LogP2.51
Rot. Bonds5

About (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid

(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid (PubChem CID 107564760) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
PubChem CID107564760
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C16H26N2O3/c1-2-3-13(14(19)20)17-15(21)18-16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,19,20)(H2,17,18,21)/t10?,11?,12?,13-,16?/m1/s1
InChIKeyVTYXINLSFNOBNZ-RRHJKOLHSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantyl)-3-butan-2-ylurea
CID 14149308
2-[3-(1-adamantylcarbamoylamino)propanoylamino]butanoic acid
CID 119224010
3-(1-adamantylcarbamoylamino)butanoic acid
CID 23968433
2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491249
2-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]pentanoic acid
CID 106216273
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
CID 79350424
2-[(2-methylcyclopropyl)methylcarbamoylamino]pentanoic acid
CID 103995941
2-[(3,5-dimethylcyclohexyl)carbamoylamino]pentanoic acid
CID 64732149
2-(1-cyclopropylethylcarbamoylamino)pentanoic acid
CID 61198675
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid (CID 107564760) is (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid?
The InChIKey is VTYXINLSFNOBNZ-RRHJKOLHSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-13(14(19)20)17-15(21)18-16-7-10-4-11(8-16)6-12(5-10)9-16/h10-13H,2-9H2,1H3,(H,19,20)(H2,17,18,21)/t10?,11?,12?,13-,16?/m1/s1.
What are the key properties of (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid?
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-adamantylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107564760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).