(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid

C15H24N2O3 — CID 122459701

IUPAC(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H24N2O3/c16-12(14(19)20)1-2-13(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8,16H2,(H,17,18)(H,19,20)/t9?,10?,11?,12-,15?/m0/s1
InChIKeyZCFVVCBZPPSGOS-ONTFQQAWSA-N
MW280.37 g/mol
LogP1.26
Rot. Bonds5

About (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid

(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid (PubChem CID 122459701) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
PubChem CID122459701
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O
InChIInChI=1S/C15H24N2O3/c16-12(14(19)20)1-2-13(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8,16H2,(H,17,18)(H,19,20)/t9?,10?,11?,12-,15?/m0/s1
InChIKeyZCFVVCBZPPSGOS-ONTFQQAWSA-N
XLogP1.26
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylamino)-2-aminopropanoic acid
CID 103231283
N-(1-adamantyl)-4-(propan-2-ylamino)butanamide
CID 60851272
N-(1-adamantyl)-3-amino-2-methylbutanamide
CID 113416044
1-(1-adamantyl)-3-(2-aminopropyl)urea
CID 63731476
N-(1-adamantyl)-4-amino-2-methylbutanamide
CID 80541317
(3R)-5-(1-adamantylamino)-3-methyl-5-oxopentanoate
CID 7321356
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
(2R)-2-(1-adamantylcarbamoylamino)pentanoic acid
CID 107564760
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
(2S)-5-(2-adamantyloxy)-2-amino-5-oxopentanoic acid
CID 10707966
2-amino-5-[(1-carboxy-2-sulfanylethyl)amino]-5-oxopentanoic acid
CID 174544229

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid?
The IUPAC name of (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid (CID 122459701) is (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid is N[C@@H](CCC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)O.
What is the InChIKey of (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid?
The InChIKey is ZCFVVCBZPPSGOS-ONTFQQAWSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-12(14(19)20)1-2-13(18)17-15-6-9-3-10(7-15)5-11(4-9)8-15/h9-12H,1-8,16H2,(H,17,18)(H,19,20)/t9?,10?,11?,12-,15?/m0/s1.
What are the key properties of (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid?
(2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid has a molecular weight of 280.37 g/mol, XLogP of 1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1-adamantylamino)-2-amino-5-oxopentanoic acid is sourced from PubChem (CID 122459701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).