benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate

C14H20N2O3 — CID 141344098

IUPACbenzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CC[C@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16-13(17)9-8-12(15)14(18)19-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHEEBGKAGOLAWMS-LBPRGKRZSA-N
MW264.32 g/mol
LogP0.97
Rot. Bonds7

About benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate

benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate (PubChem CID 141344098) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
PubChem CID141344098
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namebenzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CC[C@H](N)C(=O)OCc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-2-16-13(17)9-8-12(15)14(18)19-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,17)/t12-/m0/s1
InChIKeyHEEBGKAGOLAWMS-LBPRGKRZSA-N
XLogP0.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-amino-5-[(2-amino-2-oxoethyl)amino]-5-oxopentanoate
CID 11975613
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
benzyl (2S)-2-amino-5-(methanesulfonamido)-5-oxopentanoate
CID 54570824
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
ethyl (2R)-2-amino-5-(ethylamino)-5-oxopentanoate
CID 71815737
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
(2R)-2,5-diamino-6-oxo-6-phenylmethoxyhexanoic acid
CID 57323834
1-O-benzyl 5-O-tert-butyl 2-aminopentanedioate;hydrochloride
CID 118797500
benzyl 2-amino-4-methoxybutanoate
CID 62479875
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate?
The IUPAC name of benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate (CID 141344098) is benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate.
What is the SMILES notation for benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate?
The canonical SMILES for benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate is CCNC(=O)CC[C@H](N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate?
The InChIKey is HEEBGKAGOLAWMS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16-13(17)9-8-12(15)14(18)19-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10,15H2,1H3,(H,16,17)/t12-/m0/s1.
What are the key properties of benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate?
benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate has a molecular weight of 264.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-amino-5-(ethylamino)-5-oxopentanoate is sourced from PubChem (CID 141344098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).