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(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide

C15H28N4O5 — CID 154935037

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
SMILESCCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CNCCO1)C(C)O
InChIInChI=1S/C15H28N4O5/c1-3-11(21)10(4-5-16)18-15(23)13(9(2)20)19-14(22)12-8-17-6-7-24-12/h9-10,12-13,17,20H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t9?,10-,12-,13-/m0/s1
InChIKeyJDPQZQDEDGUCRR-QEADJWHXSA-N
MW344.41 g/mol
LogP-2.35
Rot. Bonds9

About (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide

(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide (PubChem CID 154935037) has the molecular formula C15H28N4O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
PubChem CID154935037
Molecular FormulaC15H28N4O5
Molecular Weight344.41 g/mol
Exact Mass344.21
IUPAC Name(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide
SMILESCCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CNCCO1)C(C)O
InChIInChI=1S/C15H28N4O5/c1-3-11(21)10(4-5-16)18-15(23)13(9(2)20)19-14(22)12-8-17-6-7-24-12/h9-10,12-13,17,20H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t9?,10-,12-,13-/m0/s1
InChIKeyJDPQZQDEDGUCRR-QEADJWHXSA-N
XLogP-2.35
TPSA142.78 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 5-2.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide (CID 154935037) is (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide is CCC(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H]1CNCCO1)C(C)O.
What is the InChIKey of (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide?
The InChIKey is JDPQZQDEDGUCRR-QEADJWHXSA-N. The full InChI is InChI=1S/C15H28N4O5/c1-3-11(21)10(4-5-16)18-15(23)13(9(2)20)19-14(22)12-8-17-6-7-24-12/h9-10,12-13,17,20H,3-8,16H2,1-2H3,(H,18,23)(H,19,22)/t9?,10-,12-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide?
(2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide has a molecular weight of 344.41 g/mol, XLogP of -2.35, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-[[(3S)-1-amino-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 154935037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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