1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate

C8H17N3O3 — CID 88686252

IUPAC1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(CN)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(4-9)14-8(13)6(10)2-3-7(11)12/h5-6H,2-4,9-10H2,1H3,(H2,11,12)/t5?,6-/m0/s1
InChIKeyRUGVQHCWFWZCRH-GDVGLLTNSA-N
MW203.24 g/mol
LogP-1.53
Rot. Bonds6

About 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate

1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate (PubChem CID 88686252) has the molecular formula C8H17N3O3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate.

Molecular Properties

Compound Name1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
PubChem CID88686252
Molecular FormulaC8H17N3O3
Molecular Weight203.24 g/mol
Exact Mass203.13
IUPAC Name1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate
SMILESCC(CN)OC(=O)[C@@H](N)CCC(N)=O
InChIInChI=1S/C8H17N3O3/c1-5(4-9)14-8(13)6(10)2-3-7(11)12/h5-6H,2-4,9-10H2,1H3,(H2,11,12)/t5?,6-/m0/s1
InChIKeyRUGVQHCWFWZCRH-GDVGLLTNSA-N
XLogP-1.53
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(diethylamino)ethyl 2,5-diamino-5-oxopentanoate
CID 139612107
2-hydroxypropanoyl (2S)-2,5-diamino-5-oxopentanoate
CID 87119141
dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
[(2R)-1-aminopropan-2-yl] 2-methylpropanoate
CID 87536097
(2S)-2,5-diamino-5-oxopentanoic acid;gold
CID 87376233
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
4-aminobutyl (2S)-2,5-diamino-5-oxopentanoate
CID 139681694
2,5-bis(15N)(azanyl)-5-oxopentanoic acid
CID 87103617
(2S)-2,5-diamino-5-oxo(413C)pentanoic acid
CID 71309916
2,5-diamino-5-oxopentanoic acid
CID 738
2-trimethylsilylethyl 2,5-diamino-5-oxopentanoate
CID 174894859

Frequently Asked Questions

What is the IUPAC name of 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate?
The IUPAC name of 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate (CID 88686252) is 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate.
What is the SMILES notation for 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate?
The canonical SMILES for 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate is CC(CN)OC(=O)[C@@H](N)CCC(N)=O.
What is the InChIKey of 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate?
The InChIKey is RUGVQHCWFWZCRH-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H17N3O3/c1-5(4-9)14-8(13)6(10)2-3-7(11)12/h5-6H,2-4,9-10H2,1H3,(H2,11,12)/t5?,6-/m0/s1.
What are the key properties of 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate?
1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate has a molecular weight of 203.24 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopropan-2-yl (2S)-2,5-diamino-5-oxopentanoate is sourced from PubChem (CID 88686252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).