(4S)-4-amino-5-morpholin-4-ylpentanoic acid

C9H18N2O3 — CID 97055085

IUPAC(4S)-4-amino-5-morpholin-4-ylpentanoic acid
SMILESN[C@@H](CCC(=O)O)CN1CCOCC1
InChIInChI=1S/C9H18N2O3/c10-8(1-2-9(12)13)7-11-3-5-14-6-4-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyIVLGWLAKSSLXSM-QMMMGPOBSA-N
MW202.25 g/mol
LogP-0.49
Rot. Bonds5

About (4S)-4-amino-5-morpholin-4-ylpentanoic acid

(4S)-4-amino-5-morpholin-4-ylpentanoic acid (PubChem CID 97055085) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4S)-4-amino-5-morpholin-4-ylpentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-morpholin-4-ylpentanoic acid
PubChem CID97055085
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(4S)-4-amino-5-morpholin-4-ylpentanoic acid
SMILESN[C@@H](CCC(=O)O)CN1CCOCC1
InChIInChI=1S/C9H18N2O3/c10-8(1-2-9(12)13)7-11-3-5-14-6-4-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1
InChIKeyIVLGWLAKSSLXSM-QMMMGPOBSA-N
XLogP-0.49
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
4-amino-5-(morpholin-4-ylamino)-5-oxopentanoic acid
CID 83016952
4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
CID 123232497
1-morpholin-4-ylhexan-2-amine
CID 60852253
(2R)-3-morpholin-4-ylpropane-1,2-diamine
CID 50989617
(2S)-4-methylsulfanyl-1-morpholin-4-ylbutan-2-amine
CID 22689698
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
2-(morpholin-4-ylmethyl)butanedioic acid
CID 45376163
(2S)-4-methyl-1-morpholin-4-ylpentan-2-amine
CID 18649577
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
2-aminopentanedioic acid
CID 611

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-morpholin-4-ylpentanoic acid?
The IUPAC name of (4S)-4-amino-5-morpholin-4-ylpentanoic acid (CID 97055085) is (4S)-4-amino-5-morpholin-4-ylpentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-morpholin-4-ylpentanoic acid?
The canonical SMILES for (4S)-4-amino-5-morpholin-4-ylpentanoic acid is N[C@@H](CCC(=O)O)CN1CCOCC1.
What is the InChIKey of (4S)-4-amino-5-morpholin-4-ylpentanoic acid?
The InChIKey is IVLGWLAKSSLXSM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O3/c10-8(1-2-9(12)13)7-11-3-5-14-6-4-11/h8H,1-7,10H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (4S)-4-amino-5-morpholin-4-ylpentanoic acid?
(4S)-4-amino-5-morpholin-4-ylpentanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-morpholin-4-ylpentanoic acid is sourced from PubChem (CID 97055085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).