4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid

C10H18N2O4 — CID 107569483

IUPAC4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
SMILESCCC[C@H](N)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-2-3-7(11)9(13)12-4-5-16-8(6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyFMZZRULBURQOKU-JAMMHHFISA-N
MW230.26 g/mol
LogP-0.57
Rot. Bonds4

About 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid

4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid (PubChem CID 107569483) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
PubChem CID107569483
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid
SMILESCCC[C@H](N)C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-2-3-7(11)9(13)12-4-5-16-8(6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyFMZZRULBURQOKU-JAMMHHFISA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-amino-4-phenylbutanoyl]morpholine-2-carboxylic acid
CID 104984264
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530
4-(3-amino-2-methoxypropanoyl)morpholine-2-carboxylic acid
CID 106112662
(2R)-4-[(2R)-2-butoxypropanoyl]morpholine-2-carboxylic acid
CID 125150816
(2R)-2-amino-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]pentan-1-one
CID 103793993
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
4-acetylmorpholine-2-carboxylic acid
CID 20598078
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
4-(2-methylpentyl)morpholine-2-carboxylic acid
CID 62266429
4-(5-aminohexanoyl)morpholine-2-carboxylic acid
CID 82852225

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid (CID 107569483) is 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid is CCC[C@H](N)C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid?
The InChIKey is FMZZRULBURQOKU-JAMMHHFISA-N. The full InChI is InChI=1S/C10H18N2O4/c1-2-3-7(11)9(13)12-4-5-16-8(6-12)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)/t7-,8?/m0/s1.
What are the key properties of 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid?
4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopentanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 107569483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).